1. chem960
  2. 865-48-5
(tert-butoxy)sodium | 865-48-5

Product Name:(tert-butoxy)sodium

CAS No:865-48-5
MF:C4H10NaO
MW:97.1113724708557
MDL:MFCD00040575
CID:40080
PubChem ID:24862063
Introduction
         叔丁醇钠(Sodium tert-butoxide)是一种重要的有机碱,其碱性大于****、氢氧化钾。作为强碱,叔丁醇钠广泛应用于化工、医药、农药等有机合成中的缩合、重排和开环反应中。
Names and Identifiers
  • SODIUM T-BUTOXIDE
  • sodium 2-methylpropan-2-olate
  • Sodium tert-butoxide
  • Sodium tert-butoxide, 2.0 M solution in THF, SpcSeal
  • Sodium-t-butoxide
  • 2-Methyl-2-propanol sodium salt
  • 2-Propanol, 2-methyl-, sodium salt
  • NatB
  • Sodium ter-butoxide
  • Sodium tert-butoxide, in tetrahydrofuran
  • Sodium tert-butyl alcohol
  • SODIUM TERT-BUTYLATE
  • SODIUM TERTIARY BUTOXIDE
  • sodiumt-butoxide,stb
  • sodiumt-butoxide,stb,intetrahydrofuran
  • STB
  • Degassed and low oxygen sodium tert-butoxide solution
  • t-butoxy sodium
  • NaOtBu
  • tBuONa
  • sodium t-butanolate
  • (tert-butoxy)sodium
  • sodium-tert-butoxide
  • sodium tert-butanolate
  • 2-Propanol, 2-methyl-, sodium salt (1:1)
  • sodium tert butoxide
  • sodium tbutoxide
  • sodium-tbutoxide
  • tert-butoxysodium
  • sodium t-butoxid
  • NaOtert-Bu
  • tert-
  • 2-Propanol, 2-methyl-, sodium salt (9CI)
  • Sodium tert-butoxide (6CI)
  • tert-Butyl alcohol, sodium salt (8CI)
  • 2-Methylpropan-2-olate sodium
  • Sodium 2-methylpropan-2-olate
  • Sodium t-butoxide
  • Sodium tert-butanolate
  • Sodium tert-butylate
  • tert-Butanol sodium salt
  • tert-Butoxysodium
  • Sodium tert-butoxide solution
  • MDL:MFCD00040575
  • InChIKey:GSVQWRYRPRJOIM-UHFFFAOYSA-N
  • Inchi:1S/C4H10O.Na/c1-4(2,3)5;/h5H,1-3H3;
  • SMILES:[Na].OC(C)(C)C
  • BRN:3654215
Chemical and Physical Properties

Computed Properties

  • 精确分子量: 96.05510
  • 氢键供体数量: 0
  • 氢键受体数量: 1
  • 可旋转化学键数量: 0
  • 同位素质量: 96.055
  • 重原子数量: 6
  • 复杂度: 29
  • 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: 0
  • 确定化学键立构中心数量: 0
  • 不确定化学键立构中心数量: 0
  • 共价键单元数量: 2
  • 拓扑极表面积: 23.1A^2
  • 同位素原子计数: 0
  • 疏水参数计算参考值(XlogP): none
  • 互变异构体数量: none
  • 表面电荷: 0
  • 拓扑分子极性表面积: 23.1

Experimental Properties

  • LogP: 1.21540
  • PSA: 23.06000
  • 折射率: n20/D 1.413
  • 水溶性: 起反应
  • 沸点: 180°C/1mmHg
  • 熔点: 180 ºC
  • 闪点: 华氏:57.2 °F
    摄氏:14 °C
  • 浓度: 2 M in THF
  • 颜色与性状: 白色晶体
  • 溶解性: 与水反应
  • 敏感性: Air Sensitive & Hygroscopic
  • 密度: 0.911 g/mL at 25 °C
Security Information
  • Symbol: GHS02 GHS05
  • WGK Germany:3
  • 安全说明:S26-S36/37/39-S43-S45-S7/8-S8-S16
  • 包装等级:II
  • 风险术语:R11; R14; R35; R37
  • 危險品標誌: F F C C
  • 危险品运输编号:UN 3206 4.2/PG 2
  • 危害声明:H251,H314
  • 警示性声明:P235+P410,P280,P305+P351+P338,P310
  • 提示语:危险
  • 储存条件:Store at room temperature
  • PackingGroup:II
  • 危险类别码:11-14-34-37
  • 信号词:Danger
  • TSCA:Yes
  • HazardClass:4.2 (8)
  • FLUKA BRAND F CODES:1-3-10
Customs Data
  • 海关编码:29051900
  • 海关数据:

    中国海关编码:

    2915900090

    概述:

    2915900090. 其他饱和无环一元羧酸及其酸酐(酰卤、过氧)化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

    申报要素:

    品名, 成分含量, 用途

    监管条件:

    A.入境货物通关单
    B.出境货物通关单

    检验检疫类别:

    R.进口食品卫生监督检验
    S.出口食品卫生监督检验
    M.进口商品检验
    N.出口商品检验

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Reagents: Sodium Solvents: Hexane ;  1 h, rt → 100 °C; 0.15 MPa, 100 °C; 6 h, 0.15 - 0.2 MPa, 100 °C; 1.5 h, 0.2 MPa → 0.1 MPa, 100 °C
Reference
preparation of di=-tert-butyl dicarbonate using diphosgene and tert-butyl alcohol as starting materials
Li, Jiangao, Shanghai Huagong, 2006, 31(2), 22-27

Synthetic Circuit 2

Reaction Conditions
1.1 48 h, rt
2.1 Solvents: Methanol ;  24 h, rt
Reference
A polymer analogous reaction for the formation of imidazolium and NHC based porous polymer networks
Thiel, Kerstin; et al, Polymer Chemistry, 2013, 4(6), 1848-1856

Synthetic Circuit 3

Reaction Conditions
1.1 Solvents: Methanol ;  24 h, rt
Reference
A polymer analogous reaction for the formation of imidazolium and NHC based porous polymer networks
Thiel, Kerstin; et al, Polymer Chemistry, 2013, 4(6), 1848-1856

Synthetic Circuit 4

Reaction Conditions
1.1 Solvents: Glyoxal ;  15 s, rt; 20 s, rt; 5 h, 180 bar, rt → 65 °C
2.1 48 h, rt
3.1 Solvents: Methanol ;  24 h, rt
Reference
A polymer analogous reaction for the formation of imidazolium and NHC based porous polymer networks
Thiel, Kerstin; et al, Polymer Chemistry, 2013, 4(6), 1848-1856

Synthetic Circuit 5

Reaction Conditions
Reference
Chemical equilibrium in the barium sulfate-sodium carbonate-water system
Alekseeva, E. V.; et al, Khimicheskaya Promyshlennost (Moscow, 1988, (1), 25-7

Synthetic Circuit 6

Reaction Conditions
1.1 Reagents: Sodium Solvents: 1,2,4-Trimethylbenzene
Reference
Process for preparation of alkali metal alkoxides free of alcohol of crystallization
, German Democratic Republic, , ,

Synthetic Circuit 7

Reaction Conditions
1.1 Reagents: Sodium amide Solvents: Toluene ;  rt → 110 °C; 1 h, 110 °C
Reference
New synthesis technology of sodium tert-butoxide
Tang, Shucheng; et al, Xiandai Nongyao, 2004, 3(1),
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J01C25255-5g 5g ¥545 24 Nov. 2023
S21S960023-2.5g 2.5g ¥2023 24 Nov. 2023
S21S960023-500mg 500mg ¥1105 24 Nov. 2023
S21S960023-250mg 250mg ¥833 24 Nov. 2023
J07S0450-500g 98.0%(T) 500g ¥880 24 Nov. 2023
J07S0450-100g 98.0%(T) 100g ¥280 24 Nov. 2023
R45SY002252-100g ≥98% 100g ¥45 24 Nov. 2023
J3411-1735-2.5kg 2.5kg ¥9536 24 Nov. 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
S109392-500g 98% 期货 500g ¥162.90 01 Sep. 2023
S109392-25g 98% 现货 25g ¥40.90 01 Sep. 2023
S109392-2.5kg 98% 现货 2.5kg ¥613.90 01 Sep. 2023
S109392-100g 98% 现货 100g ¥53.90 01 Sep. 2023
S140748-100ml 2 M in THF 期货 100ml ¥325.90 01 Sep. 2023
Brand:a2bchem Supplier:A2B Chem LLC
No. Purity Stock Specification Price update time operate
AB47039-500g 99% in stock 500g $20.00/ ¥145.26 29 Dec. 2023
AB47039-100g 99% in stock 100g $18.00/ ¥130.74 29 Dec. 2023
AB47039-25g 99% in stock 25g $10.00/ ¥72.63 29 Dec. 2023
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