Ethyl 1,3-dithiane-2-carboxylate

Ethyl 1,3-dithiane-2-carboxylate 구조식 이미지
카스 번호:
20462-00-4
상품명:
Ethyl 1,3-dithiane-2-carboxylate
동의어(영문):
Carboethoxy-1,3-dithiane;2-Carboethoxy-1,3-dithiane;2-Ethoxycarbonyl-1,3-dithiane;ETHYL 1,3-DITHIANE-2-CARBOXYLATE;Ethyl1,3-Dithiane-2-carboxylate>Ethyl 1,3-dithiane-2-carboxylate, 98+%;ETHYL-1 3-DITHIANE-2-CARBOXYLATE 99% (&;ETHYL 1,3-DITHIANE-2-CARBOXYLATE FOR SYN;2-(2-phenylimino-3-thiazolidinyl)ethanol;m-Dithiane-2-carboxylic acid, ethyl ester
CBNumber:
CB6490333
분자식:
C7H12O2S2
포뮬러 무게:
192.3
MOL 파일:
20462-00-4.mol
MSDS 파일:
SDS

Ethyl 1,3-dithiane-2-carboxylate 속성

녹는점
19-21°C
끓는 점
75-77 °C/0.2 mmHg (lit.)
밀도
1.22 g/mL at 25 °C (lit.)
굴절률
n20/D 1.539(lit.)
인화점
130 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
투명한 액체
색상
Colorless to Light yellow to Light orange
수용성
물과 약간 섞임.
BRN
1424352
InChI
InChI=1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3
InChIKey
ANEDZEVDORCLPM-UHFFFAOYSA-N
SMILES
S1CCCSC1C(OCC)=O
CAS 데이터베이스
20462-00-4(CAS DataBase Reference)
NIST
Ethyl 1,3-dithiane-2-carboxylate(20462-00-4)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험 카페고리 넘버 10
안전지침서 26-36/37/39-45
유엔번호(UN No.) UN 3272 3/PG 3
WGK 독일 3
F 고인화성물질 9-13
위험 등급 3
포장분류 III
HS 번호 29349990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H226 인화성 액체 및 증기 인화성 액체 구분 3 경고
예방조치문구:
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P233 용기를 단단히 밀폐하시오. 용기는 환기가 잘 되는 곳에 단단히 밀폐하여 보관하시오.
P240 용기와 수용설비를 접지 및 접합시키시오.
P241 폭발 방지용 장비[전기적/환기/조명/...]을(를) 사용하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P303+P361+P353 피부(또는 머리카락)에 묻으면 오염된 모든 의복은 벗거나 제거하시오 피부를 물로 씻으시오/샤워하시오.
P403+P235 환기가 잘 되는 곳에 보관하고 저온으로 유지하시오.
P501 ...에 내용물 / 용기를 폐기 하시오.
NFPA 704
2
1 0

Ethyl 1,3-dithiane-2-carboxylate MSDS


2-Carboethoxy-1,3-dithiane

Ethyl 1,3-dithiane-2-carboxylate C화학적 특성, 용도, 생산

화학적 성질

clear yellowish liquid

용도

Ethyl 1,3-dithiane-2-carboxylate is used in syn-selective aldol reactions. It undergoes asymmetric oxidation to give trans bis-sulfoxide. It is used to generate carbanon, which finds application in the preparation of alfa- keto esters.

제조 방법

To a solution of BF3. Et2O (57.5 mL, 0.454 mmol) in CHC13 (180 mL) heated at reflux was added dropwise, over a 1h period, a solution of 1,3-propanedithiol (22.7 mL, 0.227 mmol), followed by ethyl diethoxyacetate (40 g, 0.227 mmol) in CHCl3 (40 mL). The resulting mixture was heated for 30 minutes, and then cooled to rt. The cooled solution was washed 2 times with water, once with saturated aqueous NaHC03, and then re-washed with water. The combined organic phases were dried over MgS04, then evaporated to give 41 g (94%) of Ethyl 1,3-dithiane-2-carboxylate as a yellow oi. Yield: 94%

일반 설명

Ethyl 1,3-dithiane-2-carboxylate is an α-keto acid equivalent and bulky equivalent of acetate. It participates in syn-selective aldol reactions. It can be prepared from the reaction of ethyl diethoxyacetate and 1,3-propanedithiol in the presence of BF3/Et2O. Asymmetric oxidation of ethyl 1,3-dithiane-2-carboxylate by Modena protocol has been reported to afford trans bis-sulfoxide in 60% yield. Carbanion from ethyl 1,3-dithiane-2-carboxylate may be employed for the preparation of α-keto esters.

Purification Methods

Dissolve the ester in CHCl3, wash with aqueous K2CO3, twice with H2O, dry over MgSO4, filter, evaporate and distil the residue. [Eliel & Hartman J Org Chem 37 505 1972, Seebach Synthesis 1 17 1969, Beilstein 19/7 V 227.]

Ethyl 1,3-dithiane-2-carboxylate 준비 용품 및 원자재

원자재

준비 용품


Ethyl 1,3-dithiane-2-carboxylate 공급 업체

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