Methyl 4-sulfanylbutanoate

Base Information

• Chemical Name: Methyl 4-sulfanylbutanoate
• CAS No.: 39257-91-5
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.199
• European Community (EC) Number: 821-602-7
• Mol file: 39257-91-5.mol

Synonyms:Methyl 4-sulfanylbutanoate;39257-91-5;methyl 4-mercaptobutanoate;1-(4-NITRO-PHENYL)-PIPERIDIN-2-ONE;4-mercaptobutyric acid methyl ester;Methyl4-sulfanylbutanoate;methyl 4-mercaptobutyrate;SCHEMBL305297;methyl 3-thiomethyl propionate;YRIAPEVGKLRGHX-UHFFFAOYSA-N;AMY40461;MFCD14642006;AKOS010616159;BS-12914;EN300-75748;F76114

Chemical Property of Methyl 4-sulfanylbutanoate

Chemical Property:

• PSA: 65.10000
• LogP: 0.86940
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-Sulfanylbutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCCS

Technology Process of Methyl 4-sulfanylbutanoate

There total 4 articles about Methyl 4-sulfanylbutanoate 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: 92.3%

Thiobutyrolactone (1003-10-7) + methanol (67-56-1) → methyl 4-mercaptobutanoate (39257-91-5)

Guidance literature:

With triethylamine; for 24h; Heating / reflux;

Reference yield: 80.0%

Thiobutyrolactone (1003-10-7) + sodium methylate (124-41-4) → methyl 4-mercaptobutanoate (39257-91-5)

Guidance literature:

In methanol; for 15h; Heating;

DOI:10.1021/jo062087y

Reference yield:

Thiobutyrolactone (1003-10-7) → methyl 4-mercaptobutanoate (39257-91-5)

Guidance literature:

With triethylamine; In methanol; for 24h; Heating;

DOI:10.1016/S0040-4020(01)81706-3

upstream raw materials:

Thiobutyrolactone

methanol

sodium methylate

Downstream raw materials:

4,4'-p-xylylenedisulfonyl-di-butyric acid dimethyl ester

methyl 4-(2-formylphenylthio)butyrate

(+/-) methyl 4-[(3-{4-chlorophenylsulfonylamino}-1-{3-[(E)-2-(7-chloro-2-quinolyl)vinyl]phenyl}propyl)thio]butyrate

4-[bis-(4-methoxy-phenyl)-phenyl-methylsulfanyl]-butyric acid methyl ester

Refernces

• 1、 -. "CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES". Paragraph 00311. . Retrieved 2020/10/20.
• 2、 Ohta, Chisa,Kuwabe, Shin-Itsu,Shiraishi, Tai,Shinohara, Ikuo,Araki, Hiroshi,Sakuyama, Shigeru,Makihara, Takayuki,Kawanaka, Yasufumi,Ohuchida, Shuichi,Takuya, Seko. "An improved synthesis of the selective EP4 receptor agonist ONO-4819". experimental part. p. 8298 - 8308. Retrieved 2010/02/17.