Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate

Base Information

Chemical Name:Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate
CAS No.:926657-79-6
Molecular Formula:C16H22O4S
Molecular Weight:310.414
Hs Code.:
DSSTox Substance ID:DTXSID20581321

Synonyms:926657-79-6;DTXSID20581321;METHYL 3-{[5-(BENZYLOXY)-1-OXOPENTAN-2-YL]SULFANYL}PROPANOATE

Suppliers and Price of Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate

Supply Marketing:

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

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Chemical Property of Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:310.12388035
Heavy Atom Count:21
Complexity:290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCSC(CCCOCC1=CC=CC=C1)C=O

Technology Process of Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate

There total 5 articles about Methyl 3-{[5-(benzyloxy)-1-oxopentan-2-YL]sulfanyl}propanoate 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: 93.0%

: 926657-83-2
methyl 3-(4-benzyloxy-1-hydroxymethyl-butylsulfanyl)-propionate

: 926657-79-6
methyl 3-(4-benzyloxy-1-formyl-butylsulfanyl)-propionate

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -60 - 20 ℃;
DOI:10.1016/j.tet.2006.11.061

Reference yield:

: 926657-82-1
5-benzyloxy-2-mercapto-pentan-1-ol

: 926657-79-6
methyl 3-(4-benzyloxy-1-formyl-butylsulfanyl)-propionate

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / triethylamine / 18 h / 20 °C

2: 93 percent / oxalyl chloride; DMSO; triethylamine / CH₂Cl₂ / -60 - 20 °C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane;
DOI:10.1016/j.tet.2006.11.061

Reference yield:

: 926657-75-2
methyl 5-benzyloxy-2-chloro-pentanoate

: 926657-79-6
methyl 3-(4-benzyloxy-1-formyl-butylsulfanyl)-propionate

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / sodium hydride / diethyl ether; dimethylformamide / 20 h / 0 - 20 °C

2: 88 percent / lithium aluminium hydride / diethyl ether / 1.25 h / 0 - 20 °C

3: 87 percent / triethylamine / 18 h / 20 °C

4: 93 percent / oxalyl chloride; DMSO; triethylamine / CH₂Cl₂ / -60 - 20 °C

With lithium aluminium tetrahydride; oxalyl dichloride; sodium hydride; dimethyl sulfoxide; triethylamine; In diethyl ether; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2006.11.061