1-Chloro-N,N-2-trimethylpropenylamine (HCID 640792)

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 Å²
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

GHS 분류

GHS Classification · 4건

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 · 1건

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 · 1건

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.