CAS 959979-30-7; (s)-2-[[3,5-双(三氟甲基)苯基]硫脲基]-n-苄基-n,3,3-三甲基丁酰胺; (s)-2-[[3,5-bis(trifluoromethyl)phenyl]thioureido]-n-benzyl-n,3,3-trimethylbutanamide

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CAS:

959979-30-7

分子式:

C₂₃H₂₅F₆N₃OS

分子量:

505.5

熔点:

147-152°C

中文名称:

(s)-2-[[3,5-双(三氟甲基)苯基]硫脲基]-n-苄基-n,3,3-三甲基丁酰胺

(2s)-2-[[[[3,5-双(三氟甲基)苯基]氨基]硫代甲基]氨基]-n-3,3-三甲基-n-(苯基甲基)丁酰胺

英文名称:

(s)-2-[[3,5-bis(trifluoromethyl)phenyl]thioureido]-n-benzyl-n,3,3-trimethylbutanamide

(2s)-2-[[[[3,5-bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-n-3,3-trimethyl-n-(phenylmethyl)butanamide

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货号

品牌

产品名称

规格

包装、参考价格

S854163

MACKLIN

(S)-2-[[3,5-双(三氟甲基)苯基]硫脲基]-N-苄基-N,3,3-三甲基丁酰胺

≥98%

341元/100mg; 825元/250mg; 2339元/1g;

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储存：室温,干燥

07-1417

Strem

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

95%, (98% ee)

1215元/100mg;

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Technical Notes:

1.aza-MichaeI Reaction - Catalyst for the formal addition of ammonia to nitroalkenes, affording optically active

ß-amino nitro compounds in high yields and enantioselectivities. The approach is based on a novel thiourea- catalyzed aza-MichaeI reaction, by which benzophenone imine serves as a masked ammonia equiv., which is released by hydrolysis.

2.Diels-Alder Reaction - A variety of organocatalysts were screened for the catalysis of the naphthoquinone monoketal Diels-Alder reaction.

References:

1.Chem.-Eur. J., 2010, 16, 13330-13334

2. Beilstein J. Org. Chem., 2013, 9, 1414-1418.

Y14574

Alfa Aesar

(S)-N-Benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido

1072元/50mg; 1767元/100mg;

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基本信息

分子量
505.52

693316

Sigma-Aldrich

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

97%

1132.54元/100 MG; 5202.45元/500 MG;

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产品说明

一般描述

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea organocatalyst developed by the Jacobsen′s group for asymmetric organic synthesis.

包装

100 mg in clear glass bottle
500 mg in amber glass bottle

应用

催化包括 Mannich 反应在内的多种反应的多功能催化剂。

基本信息

经验(实验)分子式	C₂₃H₂₅F₆N₃OS
分子量	505.52
MDL编号	MFCD10567031
PubChem化学物质编号	329761582
NACRES	NA.22

产品性质

测定	97%
旋光性	[α]20/D -57.0°, c = 1 in chloroform
mp	147-152 ℃
SMILES string	CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C
InChI	1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1
InChI key	LTFFYVVCUVYZPE-GOSISDBHSA-N

安全信息

象形图
警示用语：	Warning
危险声明	H302 + H312 - H315 - H319 - H335 - H413
预防措施声明	P273 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P305 + P351 + P338
危险分类	Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官	Respiratory system
储存分类代码	11 - Combustible Solids
WGK	WGK 3
闪点(F)	Not applicable
闪点(C)	Not applicable
个人防护装备	dust mask type N95 (US), Eyeshields, Gloves

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