1. chem960
  2. 84-80-0
Vitamin K1 | 84-80-0

Product Name:Vitamin K1

CAS No:84-80-0
MF:C31H46O2
MW:450.695749759674
MDL:MFCD00214063
CID:34325
PubChem ID:5284607
Names and Identifiers
  • vitamin K1
  • 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione
  • 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
  • 2-METHYL-3-PHYTYLNAPHTOQUINONE
  • 3-PHYTHYLMENADIONE
  • 3-PHYTYLMENADIONE
  • K1-PHYTONADIONE
  • PHYLLOQUINONE
  • PHYTAMENADIONE
  • PHYTOMENADIONE
  • PHYTONADIONE
  • VITAMIN K1(20)
  • VITAMIN K1(25)
  • ,r*-(e)))-
  • [r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione
  • [r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-
  • 1,4-Naphthoquinone, 2-methyl-3-phytyl-
  • 2',3'-trans-Vitamin K1
  • 1,4-Naphthalenedione,2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
  • Phylloquinone (K1)
  • VITAMIN K1(PHYTONADIONE)(P)
  • VITAMIN K1(PHYTONADIONE)(RG) PrintBack
  • VK1
  • 2',3'-t
  • kativn
  • Kaywan
  • Kephton
  • Kinadion
  • K-Ject
  • Orakay
  • Phylloquinone-d3
  • PHYTOMENADIONE, BP STANDARD
  • Rac-Phytonadione-D7
  • SUBSCRIPT>
  • Veda K1
  • Veta K1
  • Vitam
  • VITAMIN K
  • VitaMin K{1}
  • VITAMIN K<SUBSCRIPT>1<
  • VITAMIN K1 (PHYTONADIONE)
  • vitamin K1 quinone
  • VITAMIN K1-[2H7] (PHYTONADIONE)
  • Phytylmenadione
  • Phyllochinon
  • alpha-Phylloquinone
  • Fitomenadiona
  • VitaminK1
  • Antihemorrhagic vitamin
  • trans-Phylloquinone
  • (E)-phytonadione
  • Phytomenadionum
  • Phytonadionum
  • Phyllochinonum
  • 2-Methyl-3-phytyl-1,4-naphthochinon
  • Vitamin K 1
  • S5Z3U87QHF
  • Fitomenadione
  • Phytomenadione
  • 2-Methyl-3-phytyl-1,4-naphthoquinone
  • Phylloquinone
  • Vitamin K1
  • 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]- (ZCI)
  • 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]- (9CI)
  • 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-naphthalenedione (ACI)
  • Phylloquinone (8CI)
  • 2′,3′-trans-Vitamin K1
  • Amri-K
  • AquaMEPHYTON
  • Combinal K1
  • Haemokion
  • Kanakion
  • Kativ N
  • Kenadion
  • Konakion
  • Mephyton
  • Mono-Kay
  • Monodion
  • NSC 270681
  • Pediatrico
  • Phylloquinone K1
  • Phytonadione
  • Phytylmenaquinone
  • Reconval
  • Synthex P
  • Vitamin K1(20)
  • α-Phylloquinone
  • VITAMIN K1
  • 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone
  • MLS001332659
  • MLS001074732
  • MLS001332660
  • MLSMR
  • SMR000059144
  • SMR000112043
  • alpha-phylloquinone
  • 3-Phytylmenadione
  • phylloquinone
  • MDL:MFCD00214063
  • InChIKey:MBWXNTAXLNYFJB-NKFFZRIASA-N
  • Inchi:1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
  • SMILES:O=C1C(C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C(=O)C2C=CC=CC1=2
  • BRN:2568816
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 450.35000
  • 氢键供体数量: 0
  • 氢键受体数量: 2
  • 可旋转化学键数量: 14
  • 同位素质量: 450.35
  • 重原子数量: 33
  • 复杂度: 696
  • 同位素原子数量: 0
  • 确定原子立构中心数量: 0
  • 不确定原子立构中心数量: 2
  • 确定化学键立构中心数量: 1
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 1
  • 疏水参数计算参考值(XlogP): 10.9
  • 互变异构体数量: 5
  • 表面电荷: 0
  • 拓扑分子极性表面积: 34.1
  • 分子量: 450.7

Experimental Properties

  • LogP: 9.15760
  • PSA: 34.14000
  • Merck: 7380
  • 折射率: n20/D 1.527(lit.)
  • 水溶性: Miscible with dehydrated alcohol, acetone, petroleum ether, hexane, dioxane, chloroform, ether, benzene and vegetable oils. Immiscible with water.
  • 沸点: 140°C 0mm
  • 熔点: −20 °C (lit.)
  • 蒸气压: 0.0±1.5 mmHg at 25°C
  • 闪点: 华氏:>235.4 °F
    摄氏:>113 °C
  • 溶解度: Insoluble in water
  • 浓度: 10 μg/mL in ethanol
  • 颜色与性状: Yellow oil
  • 溶解性: 不溶于水,微溶于油和有机溶剂
  • 敏感性: Light Sensitive
  • 比旋光度: D25 -0.28° (dioxane)
  • 密度: 0.984 g/mL at 25 °C(lit.)
  • 折光率: Index of refraction: 1.5263 @ 20 °C/D; specific optical rotation (dioxane): -0.28 @ 589 nm
  • 气味: Odorless
Security Information
  • Symbol: GHS02 GHS07
  • RTECS号:QJ5800000
  • WGK Germany:2
  • 安全说明:S26; S37/39
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H225-H319
  • 警示性声明:P210-P280-P305+P351+P338-P337+P313-P403+P235
  • 储存条件:2-8°C
  • 危险类别码:11
  • 信号词:Danger
  • TSCA:Yes
  • FLUKA BRAND F CODES:1-8-10
Customs Data
  • 海关编码:2936290090
  • 海关数据:

    中国海关编码:

    2936290090
Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Catalysts: Zinc chloride Solvents: Toluene
Reference
Products of interaction of menadiol monoacetate with isophytol
Sokolova, N. A.; Byzova, V. N.; Sarycheva, I. K.; Evstigneeva, R. P., Khimiko-Farmatsevticheskii Zhurnal, 1985, 19(8), 995-8

Synthetic Circuit 2

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ;  30 min, -3 - 0 °C
1.2 Solvents: Tetrahydrofuran ;  1 h, 0 °C
Reference
Improved synthesis of vitamin K1
Ji, Ya-Fei; Zong, Zhi-Min; Wei, Xian-Yong; Tu, Guang-Zhong; Xu, Li; et al, Synthetic Communications, 2003, 33(5), 763-772

Synthetic Circuit 3

Reaction Conditions
Reference
Synthesis of acyclic alkanes by reduction of alkenes via intermolecular C-C bond formation
Eilbracht, P., Science of Synthesis, 2009, 48, 393-438

Synthetic Circuit 4

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Chromium, dioxobis(tributylhydroxystannanato)- Solvents: Benzene ,  Diisopropyl ether
Reference
Catalytic oxidation of hydroquinones and naphthalenediols to 1,4-quinones with hydrogen peroxide in the presence of chromium(VI) oxide-bis(tributyltin) oxide and an application of vitamin K2 synthesis
Inoue, Masami; Uragaki, Toshitaka; Enomoto, Saburo, Chemistry Letters, 1986, (12), 2075-8

Synthetic Circuit 5

Reaction Conditions
Reference
(-)-Dichlorobis[(1,2,3,3a,7a-η)-1-[(1S,2S,5R)-5-methyl-2-(1-methylethyl)]cyclohexyl-1H-inden-1-yl]zirconium and Its (+)-(1R,2R,5S)-isomer
Negishi, Ei-ichi; Huo, Shouquan, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2003, 1, 1-3

Synthetic Circuit 6

Reaction Conditions
1.1 Reagents: Sodium bis(trimethylsilyl)amide Solvents: Tetrahydrofuran
Reference
A convenient one-flask synthesis of vitamin K
Tso, Hsi-Hwa; Chen, Yu-Jiun, Journal of Chemical Research, 1995, (3), 104-5

Synthetic Circuit 7

Reaction Conditions
1.1 Reagents: Tin dibromide Catalysts: Bis(benzonitrile)dichloropalladium Solvents: Dimethylformamide ;  24 h, 50 °C
Reference
Synthesis of 2-substituted quinones, vitamin K3, and vitamin K1 from p-cresol. BF3·OEt2-catalyzed methyl migration of 4-tert-butyldioxycyclohexadienones
Murahashi, Shun-Ichi; Fujii, Akiko; Inubushi, Yasutaka; Komiya, Naruyoshi, Tetrahedron Letters, 2010, 51(17), 2339-2341
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BIV6240-25g US:1 Pack In Stock/UK:In Stock 25g £135.00/ ¥1,125.12 31 Aug. 2023
BIV6240-5g US:In Stock/UK:In Stock 5g £40.00/ ¥333.37 31 Aug. 2023
BIV6240-1g US:In Stock/UK:In Stock 1g £12.00/ ¥100.01 31 Aug. 2023
Brand:安捷凯 Supplier:武汉安捷凯生物医药科技有限公司
No. Purity Stock Specification Price update time operate
ajce49134-5g 98% 现货 5g ¥1962.00 08 Sep. 2023
ajce49134-1g 98% 现货 1g ¥623.00 08 Sep. 2023
Brand:源叶 Supplier:上海源叶生物科技有限公司
No. Purity Stock Specification Price update time operate
S13013-100g BR,98% 上海:准现货/北京:0/武汉:0/南京:0 100g ¥2800.00 07 Jan. 2022
S13013-25g BR,98% 上海:4/北京:0/武汉:0/南京:0 25g ¥740.00 07 Jan. 2022
S13013-5g BR,98% 上海:>10/北京:0/武汉:3/南京:1 5g ¥200.00 07 Jan. 2022
S13013-1g BR,98% 上海:>10/北京:3/武汉:0/南京:2 1g ¥90.00 07 Jan. 2022
Brand:chemscene Supplier:ChemScence
No. Purity Stock Specification Price update time operate
CS-6376-5g ≥98.0% In-stock 5g $264.0/ ¥1,917.48 26 Apr. 2022
CS-6376-1g ≥98.0% In-stock 1g $84.0/ ¥610.11 26 Apr. 2022
CS-6376-500mg ≥98.0% In-stock 500mg $50.0/ ¥363.16 26 Apr. 2022
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
V676080-10g 0.0 10g $521.00/ ¥3,784.13 17 May. 2023
V676080-5g 0.0 5g $282.00/ ¥2,048.22 17 May. 2023
V676080-1g 0.0 1g $ 244.00/ ¥1,772.22 05 Sep. 2023
V676080-100mg 0.0 100mg $ 108.00/ ¥784.43 05 Sep. 2023
V676080-10mg 0.0 10mg $ 75.00/ ¥544.74 05 Sep. 2023
Brand:bomeibio Supplier:合肥博美生物科技有限责任公司
No. Purity Stock Specification Price update time operate
WV3261-5g ≥98% 现货 5g ¥350元 15 Sep. 2023
WV3261-1g ≥98% 现货 1g ¥90元 15 Sep. 2023
Brand:aladdin Supplier:上海阿拉丁生化科技股份有限公司
No. Purity Stock Specification Price update time operate
V104148-100mg 分析标准品 期货 100mg ¥304.90 31 Aug. 2023
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