1-Chloro-N,N-2-trimethylpropenylamine

1-Chloro-N,N,2-trimethylprop-1-en-1-amine · 1-CHLORO-N,N,2-TRIMETHYL-1-PROPENYLAMINE · Ghosez′s reagent · TETRAMETHYL-ALPHA-CHLORENAMINE · 1-CHLORO-N,N,2-TRIMETHYLPROPENYLAMINE · 1-Chloro-N,N,2-trimethyl-1-propenylamin · (1-CHLORO-2-METHYLPROPENYL)DIMETHYLAMINE · 1-chloro-N,N,2-trimethyl-1-Propen-1-amine

https://huagongshe.com/ko/chemical/640792

1-Chloro-N,N-2-trimethylpropenylamine 분자 구조식

식별자 및 물리적 특성

CAS No.	26189-59-3
분자식	C6H12ClN
평균 분자량	133.62 g/mol
단동위원소 질량	133.06582706 g/mol
SMILES	CC(C)=C(Cl)N(C)C
InChIKey	GQIRIWDEZSKOCN-UHFFFAOYSA-N
PubChem CID	640792
EC No.	629-420-8
DTXSID	DTXSID30348806

화학 및 물리적 성질

XLogP	2.7
극성 표면적	3.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	8
형식 전하	0
복잡도	101
끓는 점	129-130 °C(lit.)
밀도	1.01 g/mL at 25 °C(lit.)
굴절률	n20/D 1.453(lit.)
인화점	80 °F
저장 조건	2-8°C
용해도	클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태	액체
pKa(산도 계수)	4.27±0.70(Predicted)
색상	무색~황색
안정성	흡습성, 습기에 민감하고 용액이 불안정함
InChI	1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
InChIKey	GQIRIWDEZSKOCN-UHFFFAOYSA-N
SMILES	CN(C)\C(Cl)=C(\C)C

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2734 8/PG 1
관세 코드	29211990
위험 문구(R)	10-34
위험 표시	C
안전 문구(S)	16-26-36/37/39-45
위험 등급	8, 3Flam. Liq. 3Skin Corr. 1B
저장 분류	3 - Flammable liquids

용도

1-Chloro-N,N,2-trimethyl-1-propenylamine is an acid halogenation reagent developed by Ghosez, that enables the conversion of carboxylic acids into the corresponding chlorides under strictly neutral conditions. This method was successfully used in the total synthesis of caloporoside, roseophilin, (-)-enniatin B, (±)-epimeloscine and (±)-meloscine.

제조 및 합성 방법

제조 방법

1-chloro-N,N,2-trimethylpropenylamine is conveniently prepared by the reaction of N,N,2- trimethylpropanamide with Phosgene followed by dehydrochlorination of the intermediate α-chloroiminium chloride (eq 1).[1,2] Recent unpublished results of our laboratory have shown that Phosphorus Oxychloride or dior triphosgene can also be used for the preparation of TMCE.