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2-甲苯磺酰胺 | 88-19-7

2-甲苯磺酰胺
O-Toluenesulfonamide
88-19-7
C7H9NO2S
171.216860532761
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-甲苯磺酰胺结构式
6924
2-甲苯磺酰胺价格
名称和标识符
MDL MFCD00007934
InChIKey YCMLQMDWSXFTIF-UHFFFAOYSA-N
Inchi 1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
SMILES O=S(C1C(C)=CC=CC=1)(N)=O
BRN 1102362
别名信息
- 中文别名 -
  • 2-甲苯磺酰胺
  • 邻甲苯磺酰胺
  • 邻甲苯磺胺
  • 邻甲基苯磺胺
  • 2-甲基苯磺酰胺
  • 邻甲苯磺酰胺 USP标准品
  • 邻氯对硝基苯胺
  • 甲苯-2-磺酰胺
- 英文别名 -
  • 2-Methylbenzenesulfonamide
  • o-Toluenesulphonamide
  • 2-Methylbenzene-1-sulfonamide
  • 2-Toluene Suldonamide
  • ORTHO TOLUENE SULFONAMIDE
  • O-TOLUENE SULFONAMIDE
  • P-TOLUENE SULFONAMIDE
  • OTSA
  • o-Methylbenzenesulfonamide
  • o-Toluenesulfonamide
  • 2-Toluenesulfonamide
  • Benzenesulfonamide, 2-methyl-
  • Toluene-2-sulfonamide
  • Toluene-2-sulphonamide
  • ortho-Toluenesulfonamide
  • Ketjenflex 9
  • 2-Tolylsulfonamide
  • Santicizer 9
  • Ketjenflex 9S
  • Ortho-toluol-sulfonamid
  • ortho-Toluenesulphonamide
  • 2(or 4)-Toluenesulfonamide
  • o-(Or p)-toluenesulphonamide
  • ortho-Toluol-sulfonamid [German]
  • 2(or 4)-Methylbenzenes
  • EINECS 232-394-7
  • 2-methylbenzene-1-sulfonamide
  • T0280
  • BRN 1102362
  • TOLUENESULFONAMIDE, O-
  • R81Z6V889P
  • AI3-23216
  • Uniplex 171 (Salt/Mix)
  • SCHEMBL7369
  • o-Toluenesulfonamide, United States Pharmacopeia (USP) Reference Standard
  • Ortho Tolune Sulphonamide,(S)
  • AKOS000119649
  • DTXSID7021362
  • o-Toluenesulfonamide, Pharmaceutical Secondary Standard
  • Certified Reference Material
  • UNII-R81Z6V889P
  • HSDB 5256
  • o-toluene sulfonamide
  • EN300-18329
  • 2-toluenesulphonamide
  • SY048993
  • methyl-benzenesulphonamide
  • 8013-74-9
  • CS-W010774
  • Q27287945
  • SPR_3
  • CCRIS 8900
  • LS-7728
  • EINECS 201-808-8
  • MFCD00007934
  • FT-0651648
  • 2-Methylbenzene-1-sulphonamide
  • 2-methylbenzene-sulfonamide
  • AMY37132
  • W-109319
  • Benzenesulfonamide, ar-methyl-
  • Z57902803
  • BDBM35999
  • NSC-2185
  • O-TOLUENESULFONAMIDE [USP-RS]
  • AE-562/40299836
  • 4-11-00-00229 (Beilstein Handbook Reference)
  • 2-methylbenzene sulphonamide
  • o-Toluenesulfonamide, 99%
  • 88-19-7
  • o-tolylsulfonamide
  • NSC 2185
  • NCGC00255267-01
  • CHEMBL176892
  • STR03407
  • A806591
  • Benzenesulfonamide, 2(or 4)-methyl-
  • DTXCID301362
  • PD055397
  • STK325715
  • toluene sulfonamide
  • CAS-88-19-7
  • O-TOLUENESULFONAMIDE [HSDB]
  • TOLUENESULFONAMIDE
  • NSC2185
  • 2-methyl-benzenesulphonamide
  • EC 201-808-8
  • OTS amide
  • LS-31635
  • O-TOLUENESULFONAMIDE
  • 1333-07-9
  • IEJ
  • InChI=1/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10
  • toluen-2-sulfonamid
  • WLN: ZSWR B1
  • TS-02327
  • FT-0659866
  • E70309
  • Tox21_301641
  • 2(or 4)-Methylbenzenesulfonamide
  • 2-Methylbenzenesulfonamide (ACI)
  • o-Toluenesulfonamide (7CI, 8CI)
  • 2-Methylbenzenesulfonimidic acid
  • 2-Methylphenylsulfonamide
  • o-Toluenesulfamide
物化性质
实验特性
LogP 2.42350
PSA 68.54000
折射率 1.6100 (estimate)
水溶性 Soluble in water (1.6 g/L at 25°C).
沸点 221 °C
熔点 156-158 °C (lit.)
闪点 178°C
颜色与性状 无色或白色八面体结晶。
溶解性 溶于乙醇,微溶于水和乙醚。
密度 1.2495 (rough estimate)
计算特性
精确分子量 171.03500
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 1
同位素质量 171.035
重原子数量 11
复杂度 217
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 1
疏水参数计算参考值(XlogP) 0.8
互变异构体数量
表面电荷 0
拓扑分子极性表面积 68.5
国际标准相关数据
EINECS 8900
海关数据
海关编码 2935009090
海关数据

中国海关编码:

2935009090

概述:

2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%

申报要素:

品名, 成分含量, 用途

Summary:

2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Hypervalent organoiodine promoted dearylation reaction of N-aryl sulfonamides
Song, Mengmeng; et al, Youji Huaxue, 2020, 40(8), 2433-2441

合成路线:1 步

反应条件:
参考文献:
Metal-free construction of primary sulfonamides through three diverse salts
Wang, Ming; et al, Green Chemistry, 2018, 20(24), 5469-5473

合成路线:1 步

反应条件:
参考文献:
Novel sonochemical dealkylation of N-alkylsulfonamides in the presence of (diacetoxyiodo)benzene and iodine
Katohgi, Masashi; et al, Synlett, 2000, (7), 1055-1057

合成路线:1 步

参考文献:
Studies on the sulfonation of p-iodotoluene
Muramoto, Yoshihiro; et al, Kinki Daigaku Kogakubu Kenkyu Hokoku, 1984, 18, 41-7

合成路线:2 步

反应条件:
参考文献:
Hypervalent organoiodine promoted dearylation reaction of N-aryl sulfonamides
Song, Mengmeng; et al, Youji Huaxue, 2020, 40(8), 2433-2441

合成路线:1 步

反应条件:
参考文献:
A general iodine-mediated synthesis of primary sulfonamides from thiols and aqueous ammonia
Feng, Jian-Bo; et al, Organic & Biomolecular Chemistry, 2016, 14(29), 6951-6954

合成路线:1 步

反应条件:
参考文献:
Oxidation of aromatic and aliphatic triisopropylsilanylsulfanyls to sulfonyl chlorides: preparation of sulfonamides
Gareau, Yves; et al, Tetrahedron Letters, 2003, 44(42), 7821-7824

合成路线:1 步

反应条件:
参考文献:
Tin for organic synthesis. 10. Unconventional regiospecific syntheses of aromatic carbonamides and thiocarbonamides by means of tin-mediated Friedel-Crafts reactions
Arnswald, Martin; et al, Journal of Organic Chemistry, 1993, 58(25), 7022-8

合成路线:2 步

参考文献:
Product subclass 2: arenesulfonic acid derivatives
Shcherbakova, I., Science of Synthesis, 2007, 31, 775-832

合成路线:1 步

反应条件:
参考文献:
Primary Sulfonamide Synthesis Using the Sulfinylamine Reagent N-Sulfinyl-O-(tert-butyl)hydroxylamine, t-BuONSO
Davies, Thomas Q. ; et al, Organic Letters, 2020, 22(24), 9495-9499

合成路线:2 步

参考文献:
Product subclass 2: arenesulfonic acid derivatives
Shcherbakova, I., Science of Synthesis, 2007, 31, 775-832

合成路线:1 步

参考文献:
Separation of saccharin from 3-(o-toluylsulfonylimido)benzoic acid sulfimide
, German Democratic Republic, , ,

合成路线:1 步

反应条件:
参考文献:
Novel pentafluorophenyl hypervalent iodine reagents
Moriarty, Robert M.; et al, Tetrahedron Letters, 1987, 28(8), 877-80

合成路线:1 步

参考文献:
Product subclass 2: arenesulfonic acid derivatives
Shcherbakova, I., Science of Synthesis, 2007, 31, 775-832

合成路线:1 步

反应条件:
参考文献:
Cu(II)-catalyzed decarboxylation/elimination of N-arylsulfonyl amino acids to primary aryl sulfonamides
Zhou, Liandi; et al, Synthetic Communications, 2016, 46(15), 1299-1306

合成路线:1 步

反应条件:
参考文献:
Pd/Ni catalyzed selective N-H/C-H methylation of amides by using peroxides as the methylating reagents via a radical process
Li, Ze-lin; et al, Organic Chemistry Frontiers, 2017, 4(11), 2207-2210

合成路线:1 步

反应条件:
参考文献:
Oxidatively sonochemical dealkylation of various N-alkylsulfonamides to free sulfonamides and aldehydes
Katohgi, M.; et al, Tetrahedron, 2001, 57(35), 7481-7486

合成路线:1 步

参考文献:
Carbon dioxide, carbonyl sulfide, carbon disulfide, isocyanates, isothiocyanates, carbodiimides, and their selenium, tellurium, and phosphorus analogues
Braverman, S.; et al, Science of Synthesis, 2005, 18, 65-320

合成路线:1 步

反应条件:
参考文献:
Ruthenium(II)-catalyzed reductive N-O bond cleavage of N-OR (R = H, alkyl, or acyl) substituted amides and sulfonamides
You, Tingjie; et al, Organic Chemistry Frontiers, 2021, 8(1), 112-119

合成路线:1 步

反应条件:
参考文献:
Iodine monoacetate
Giri, Ramesh; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2008, 1, 1-10

合成路线:1 步

反应条件:
参考文献:
One-pot aerobic oxidative sulfonamidation of aromatic thiols with ammonia by a dual-functional β-MnO2 nanocatalyst
Hayashi, Eri; et al, Chemical Communications (Cambridge, 2020, 56(14), 2095-2098
相关文献
专业数据库参考
PubChemId 6924
参考资料
Reaxys RN 1102362
Beilstein 11(3)167
产品用途
热固树脂的增塑剂,作为原料应用在有机合成、制备指甲油、染料、荧光颜料和涂料。
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