3'-Chloropropiophenone

3'-Chloropropiophenone 구조식 이미지
카스 번호:
34841-35-5
상품명:
3'-Chloropropiophenone
동의어(영문):
MCPP;M-CHLOROPROPIOPHENONE;1-(3-chlorophenyl)propan-1-one;3&priMe;3-chlorophenone;3'-chloroacetone;M-ChloroProiophenone;3'-Chloropropiopheno;Bupropion Impurity 22;3'-Chloropropiophenone
CBNumber:
CB7234165
분자식:
C9H9ClO
포뮬러 무게:
168.62
MOL 파일:
34841-35-5.mol
MSDS 파일:
SDS

3'-Chloropropiophenone 속성

녹는점
45-47 °C(lit.)
끓는 점
124 °C14 mm Hg(lit.)
밀도
1.1115 (rough estimate)
굴절률
1.5350 (estimate)
인화점
>230 °F
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됩니다.
물리적 상태
결정질 고체
색상
흰색에서 밝은 노란색
InChI
InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey
PQWGFUFROKIJBO-UHFFFAOYSA-N
SMILES
C(C1=CC=CC(Cl)=C1)(=O)CC
LogP
3.041
CAS 데이터베이스
34841-35-5(CAS DataBase Reference)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36/37/38
안전지침서 37/39-26-24/25
WGK 독일 3
HS 번호 29147000
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P271 옥외 또는 환기가 잘 되는 곳에서만 취급하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
NFPA 704
1
2 0

3'-Chloropropiophenone MSDS


1-(3-Chlorophenyl)-1-propanone

3'-Chloropropiophenone C화학적 특성, 용도, 생산

개요

Influence of solvents and temperature on the yield and enantioselectivity of the phenylation of 3′-chloropropiophenone has been investigated.

화학적 성질

WHITE TO LIGHT YELLOW CRYSTALLINE SOLID

용도

3'-Chloropropiophenone is a reagent used in the vinylation, alkylation and dienylation of ketones. It is also used in the preparation of thizaine derivatives that show antibacterial activity.

주요 응용

3′-Chloropropiophenone can be used as a reactant to synthesize:
(S)-3-chloro-1-phenylpropanol via bio-catalyzed asymmetric reduction method.
1-(3-Chlorophenyl)-1-phenyl-1-propanol by phenylation with diphenylzinc in the presence of dihydroxy bis(sulfonamide) ligand.
(S)-Dapoxetine, a selective serotonin reuptake inhibitor.

제조 방법

4.86 g (0.2 mol) of magnesium turnings, 30 ml of dry diethyl ether and a grain of iodine are placed in a one liter three-necked round-bottomed flask equipped with a condenser, a calcium chloride drying tube, a pressure equalizing funnel and a magnetic stirrer; the flask is purged with nitrogen, and 21.8 g (0.2 mol) of ethyl bromide in 30 ml of dry diethyl ether are then added. The mixture is then heated under reflux for one hour and left to cool. At ambient temperature, 16.51 g (0.12 mol) of 3-chlorobenzonitrile in 70 ml of dry diethyl ether are then added. A copious precipitate forms. The mixture is stirred overnight at ambient temperture and then cooled in an ice bath and hydrolysed by slowly adding 50 ml of water and then about 100 ml of 6N hydrochloric acid until the pH is acid. The mixture is stirred for one and a half hours and then extracted with ethyl acetate. The organic extract is then washed twice with water, dried and concentrated on a rotary evaporator. This gives 26 g of an orange oil, which is concentrated in vacuo to give about 18.2 g of ochre crystals of 3'-chloropropiophenone melting at about 40° C.
Literature source US04690931

3'-Chloropropiophenone 준비 용품 및 원자재

원자재

준비 용품


3'-Chloropropiophenone 공급 업체

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