1-Chloro-N,N-2-trimethylpropenylamine
기본 정보
- CAS
26189-59-3- 표준 SMILES
CC(C)=C(Cl)N(C)C- InChIKey
GQIRIWDEZSKOCN-UHFFFAOYSA-N- 분자식
- C6H12ClN
- 평균 분자량
- 133.62 g/mol
- 단동위원소 질량
- 133.06582706
이름 및 식별자
- 우선 이름
- 1-Chloro-N,N-2-trimethylpropenylamine
- IUPAC
- 1-chloro-N,N,2-trimethylprop-1-en-1-amine
- 영어명
- 1-Chloro-N,N,2-trimethylpropenylamine
- 분자식
- C6H12ClN
- 분자량
- 133.62
이름 및 동의어
1-chloro-n,n-2-trimethylpropenylamineRefChem:43145826189-59-31-Chloro-N,N,2-trimethylpropenylamine1-chloro-N,N,2-trimethylprop-1-en-1-amineMFCD008005621-Chloro-N,N,2-trimethyl-1-propenylamine1-chloro-N,N,2-trimethyl-1-propen-1-amine(1-chloro-2-methylprop-1-en-1-yl)dimethylamine1-propen-1-amine, 1-chloro-N,N,2-trimethyl-Ghosez's reagent;1-chloro-N,N,2-trimethyl-prop-1-en-1-amine
이름 더 보기
Ghosez′s reagentTETRAMETHYL-ALPHA-CHLORENAMINE1-Chloro-N,N,2-trimethyl-1-propenylamin(1-CHLORO-2-METHYLPROPENYL)DIMETHYLAMINE1-chloride-N, N, 2-trimethyl-1-acrylamine1-Chloro-N,N,2-trimethylpropenylamine ,98%
1-Chloro-N,N-2-trimethylpropenylamine (>90%)Ghosez's reagent1-Chloro-N,N-2-trimethylpropenylamine;1-Chloro-N,N,2-trimethylprop-1-en-1-amine;1-Chloro-N,N-dimethyl-2-methyl-1-propenylamine;1-Chloro-N,N-dimethyl-2-methylprop-1-en-1-amine;N-(1-Chloro-2-methylprop-1-enyl)-N,N-dimethylamine;Ghosezs reagent
데이터베이스 식별자
- CAS
26189-59-3- PubChem CID
- 640792
- DTXSID
DTXSID30348806- EC Number
- 629-420-8
- Nikkaji
- J856.154K
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 101
물리화학적 성질
- 끓는 점
- 129 · 129-130 °C(lit.)
- 밀도
- 1.01 g/mL · 1.01 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.453(lit.)
- 인화점
- 80 °F · 80 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.27 · 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (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.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2734 8/PG 1
- HS 번호
- 29211990
- risk_code
- 10-34
- hazard_code
- C
- safety_code
- 16-26-36/37/39-45
- 위험 등급
- 8, 3
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도1-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 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.
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