3'-Chloropropiophenone

한글명:3'-Chloropropiophenone

카스 번호34841-35-5

상품명:3'-Chloropropiophenone

CBNumberCB7234165

분자식C9H9ClO

포뮬러 무게168.62

MOL 파일34841-35-5.mol

화학적 성질

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)

위험 및 안전 성명

위험품 표기

위험 카페고리 넘버

36/37/38

안전지침서

37/39-26-24/25

WGK 독일

HS 번호

29147000

NFPA 704:

	1
2		0

그림문자(GHS)

3'-Chloropropiophenone MSDS

3'-Chloropropiophenone 화학적 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

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