Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester
CAS No.:872674-36-7
Molecular Formula:C16H24O4S
Molecular Weight:312.43
Hs Code.:
DSSTox Substance ID:DTXSID70469529
Wikidata:Q82297305

Synonyms:872674-36-7;Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester;DTXSID70469529

Suppliers and Price of Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:312.13953042
Heavy Atom Count:21
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(CSCCC1=CC=C(C=C1)C(=O)OC)OCC

Technology Process of Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester

There total 1 articles about Benzoic acid, 4-[2-[(2,2-diethoxyethyl)thio]ethyl]-, methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 2032-35-1
Bromoacetaldehyde diethyl acetal

: 155172-15-9
4-(2-mercaptopropyl)benzoic acid methyl ester

: 872674-36-7
methyl 4-[2-[(2,2-diethoxyethyl)thio]ethyl]benzoate

Guidance literature:: 4-(2-mercaptopropyl)benzoic acid methyl ester; With sodium hydride; In tetrahydrofuran;

Bromoacetaldehyde diethyl acetal; In tetrahydrofuran; at 55 ℃; for 2h;
DOI:10.1021/jm0507882

Reference yield:

: 872674-36-7
methyl 4-[2-[(2,2-diethoxyethyl)thio]ethyl]benzoate

: 872674-37-8
methyl 4-[2-[(2-oxoethyl)thio]ethyl]benzoate

Guidance literature:: With trifluoroacetic acid; In chloroform; for 1.5h;
DOI:10.1021/jm0507882

Reference yield:

: 872674-36-7
methyl 4-[2-[(2,2-diethoxyethyl)thio]ethyl]benzoate

: 4-{2-[2-(1-benzhydryl-5-chloro-2-methyl-1H-indol-3-yl)-ethanesulfinyl]-ethyl}-benzoic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: aq. TFA / CHCl₃ / 1.5 h

2.1: HSiEt₃; TFA / CH₂Cl₂ / 0 - 20 °C

3.1: NaH / dimethylformamide / 0.5 h / 0 °C

3.2: 57 percent / dimethylformamide / 0 - 20 °C

4.1: 66 percent / aq. H₂O₂ / acetone / 2 h / 20 °C

5.1: aq. NaOH / tetrahydrofuran; methanol / 50 °C

With triethylsilane; sodium hydroxide; dihydrogen peroxide; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; chloroform; N,N-dimethyl-formamide; acetone;
DOI:10.1021/jm0507882