CAS 3140-73-6|2-Chloro-4,6-dimethoxy-1,3,5-triazine|2-chloro-4,6-dimethoxy-1,3,5-triazine|2-chloro-4,6-dimethoxy-1,3,5-triazine|2-氯-4,6-二甲氧基-1,3,5-三嗪|2-Chloro-4,6-dimethoxy-1,3,5-triazine|2,4...

基本信息

化学结构

分子式

C₅H₆ClN₃O₂

分子量

175.57304

精确质量

175.01485413

电荷

InChI

InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3

InChIKey

GPIQOFWTZXXOOV-UHFFFAOYSA-N

Canonic Smiles

COc1nc(OC)nc(n1)Cl

Isomeric Smiles

n1c(nc(nc1OC)OC)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.8065119

LogD (pH = 7.4)

1.8065119

Log P

1.8065119

摩尔折射率

40.8386

极化性

14.911079

极化表面积

57.13

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

2-Chloro-4,6-dimethoxy-1,3,5-triazine2-氯-4,6-二甲氧基-1,3,5-三嗪2-Chloro-4,6-dimethoxy-1,3,5-triazine2,4-Dimethoxy-6-chloro-1,3,5-triazine4,6-Dimethoxy-2-chloro-s-triazineNSC 46520

IUPAC传统名

2-chloro-4,6-dimethoxy-1,3,5-triazine

IUPAC标准名

2-chloro-4,6-dimethoxy-1,3,5-triazine

名称和标识

数据登录号

MDL号

MFCD00075607

PubChem SID

2485460424863373162033748

Beilstein号

EC号

CAS号

PubChem CID

数据登录号

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

375217

包装
1, 5 g in glass bottle
Application
一种稳定并且具高反应性的肽偶联剂。1

24320

Other Notes
合成三嗪的中间体。肽偶联的活化剂1；可将活性酯直接还原为醛2

描述信息

参考文献

PubChem文献

数据源提供

• Can also be used for the esterification of carboxylic acids: Synthesis, 593 (1999). The intermediate active esters can be hydrogenolyzed, providing a simple method for reduction of acids to aldehydes; at higher pressures, further reduction to the alcohol can be effected: J. Org. Chem., 64, 8962 (1999).

• Similarly, carboxylic acids are converted to Weinreb amides by reaction with N,O-dialkyl hydroxylamines: J. Org. Chem., 66, 2534 (2001).

• Reagent for activation of carboxylic acids to nucleophiles: J. Org. Chem., 63, 4248 (1998). Peptide coupling reagent: Synthesis, 917 (1987). With N-methylmorpholine forms the quaternary chloride (DMTMM) which is a valuable low-cost coupling agent in solid-phase peptide synthesis: Synlett, 275 (2000). For a reexamination of the use of the reagent in peptide coupling, see: Tetrahedron Lett., 42, 4161 (2002); see also Appendix 6.

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

2-Chloro-4,6-dimethoxy-1,3,5-triazine2-氯-4,6-二甲氧基-1,3,5-三嗪2-Chloro-4,6-dimethoxy-1,3,5-triazine2,4-Dimethoxy-6-chloro-1,3,5-triazine4,6-Dimethoxy-2-chloro-s-triazineNSC 46520

IUPAC传统名

2-chloro-4,6-dimethoxy-1,3,5-triazine

IUPAC标准名

2-chloro-4,6-dimethoxy-1,3,5-triazine

数据登录号

MDL号

MFCD00075607

PubChem SID

2485460424863373162033748

Beilstein号

148988

EC号