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43749

1,3-二噻烷-2-甲酸乙酯

Name: 1,3-二噻烷-2-甲酸乙酯
Brand: ALDRICH

technical, ≥90% (GC)

别名:

乙醛酸乙酯三亚甲基缩硫醛

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关于此项目

经验公式（希尔记法）:

C₇H₁₂O₂S₂

化学文摘社编号:

20462-00-4

分子量:

192.30

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24867377

EC Number:

243-838-4

Beilstein/REAXYS Number:

1424352

MDL number:

MFCD00006657

Assay:

≥90% (GC)

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属性

grade

technical

Quality Level

200

assay

≥90% (GC)

refractive index

n20/D 1.539 (lit.), n20/D 1.541

bp

75-77 °C/0.2 mmHg (lit.)

density

1.22 g/mL at 25 °C (lit.)

functional group

ester, thioether

SMILES string

CCOC(=O)C1SCCCS1

InChI

1S/C7H12O2S2/c1-2-9-6(8)7-10-4-3-5-11-7/h7H,2-5H2,1H3

InChI key

ANEDZEVDORCLPM-UHFFFAOYSA-N

说明

General description

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.

pictograms

GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

131.0 °F - closed cup

flash_point_c

55 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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Alkylation of the carbanion from methyl bis (ethylthio) acetate with alkyl and aralkyl halides.

Lerner LM.

The Journal of Organic Chemistry, 41(12), 2228-2229 (1976)

Convenient synthesis of α-keto esters.

Eliel EL and Hartmann AA.

The Journal of Organic Chemistry, 37(3), 505-506 (1972)

Studies on the Asymmetric Oxidation of Ester Derivatives of 1,3-Dithiane-2-carboxylates. Asymmetric Synthesis of trans-1,3-Dithiane 1,3-Dioxide.

Varinder K. Aggarwal et al.

The Journal of organic chemistry, 63(21), 7306-7310 (2001-10-24)

Asymmetric oxidation of a range of 1,3-dithianes was studied using the Kagan protocol [CHP (4 equiv), (+)-DET (2 equiv), Ti(OiPr)(4) (1 equiv), and H(2)O (1 equiv) at -35 degrees C for 48 h]. 1,3-Dithiane itself gave monoxide (30% ee) and

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全球贸易项目编号

货号	GTIN
D0940-500MG	04061832342320
43749-5ML	04061838127709