Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate

Base Information

Chemical Name:Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate
CAS No.:113541-83-6
Molecular Formula:C18H24O5S
Molecular Weight:352.452
Hs Code.:
DSSTox Substance ID:DTXSID30555957
Wikidata:Q82437415
Mol file:113541-83-6.mol

Synonyms:113541-83-6;Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate;DTXSID30555957

Suppliers and Price of Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:352.13444504
Heavy Atom Count:24
Complexity:384

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCC(CCC(=O)OC)(CCSC1=CC=CC=C1)C=O

Technology Process of Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate

There total 7 articles about Dimethyl 4-formyl-4-[2-(phenylsulfanyl)ethyl]heptanedioate 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:

: C₁₄H₁₉NS

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 113541-83-6
dimethyl 4-formyl-4-(2-phenylthioethyl)-heptan-1,7-dioate

Guidance literature:: C₁₄H₁₉NS; acrylic acid methyl ester; In methanol; at 0 ℃; for 72h; Inert atmosphere; Reflux;

With acetic acid; In methanol; water; for 4h; Inert atmosphere; Reflux;
DOI:10.1002/anie.201405842

Reference yield:

: 77657-90-0
4-phenylthiobutyraldehyde

: 113541-83-6
dimethyl 4-formyl-4-(2-phenylthioethyl)-heptan-1,7-dioate

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / benzene / 0 °C

2: methanol / 72 h / Heating

With potassium carbonate; In methanol; benzene;

Reference yield:

: 5851-37-6
4-(phenylthio)butan-1-ol

: 113541-83-6
dimethyl 4-formyl-4-(2-phenylthioethyl)-heptan-1,7-dioate

Guidance literature:: Multi-step reaction with 3 steps

1: 77 percent / dimethyl sulphide, N-chlorosuccinimide / toluene / 2 h / -25 °C

2: 97 percent / K₂CO₃ / toluene; diethyl ether / 0 deg C, 1 h and then RT, 3 h

3: 1) 0 deg C, 4 h, and RT, 15 h, then reflux, 48h, methanol, 2) acetic acid, water, reflux, 8 h

With N-chloro-succinimide; dimethylsulfide; potassium carbonate; In diethyl ether; toluene;
DOI:10.1016/S0040-4020(01)96092-2