Dibutyl 3,3'-thiodipropionate

Base Information

• Chemical Name: Dibutyl 3,3'-thiodipropionate
• CAS No.: 6975-31-1
• Molecular Formula: C14H26 O4 S
• Molecular Weight: 290.424
• European Community (EC) Number: 230-231-4
• NSC Number: 22381
• DSSTox Substance ID: DTXSID1064534
• Nikkaji Number: J266.034B
• Wikidata: Q81991633
• Mol file: 6975-31-1.mol

Synonyms:Dibutyl 3,3'-thiodipropionate;Dibutyl thiodipropionate;6975-31-1;butyl 3-(3-butoxy-3-oxopropyl)sulfanylpropanoate;Dibutyl 3,3'-thiobispropionate;Propionic acid, 3,3'-thiodi-, dibutyl ester;Propanoic acid, 3,3'-thiobis-, dibutyl ester;EINECS 230-231-4;NSC 22381;AI3-22635;Propanoic acid,3,3'-thiobis-, 1,1'-dibutyl ester;4-thia-heptanedioic acid dibutyl ester;Propanoic acid, 3,3'-thiobis-, 1,1'-dibutyl ester;SCHEMBL112324;DTXSID1064534;Thiodipropanoic acid dibutyl ester;NSC22381;NSC-22381;3,3'-Thiobispropionic acid dibutyl ester;Propionic acid,3'-thiodi-, dibutyl ester;Propanoic acid,3'-thiobis-, dibutyl ester;LS-124875;F75671

Chemical Property of Dibutyl 3,3'-thiodipropionate

Chemical Property:

• Boiling Point: 377.8oC at 760 mmHg
• Flash Point: 169.6oC
• PSA: 77.90000
• Density: 1.035g/cm3
• LogP: 3.18640
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 290.15518048
• Heavy Atom Count: 19
• Complexity: 220

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCSCCC(=O)OCCCC

Technology Process of Dibutyl 3,3'-thiodipropionate

There total 3 articles about Dibutyl 3,3'-thiodipropionate 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: 79.0%

4-thiaheptane-1,7-dioic acid (111-17-1) + butan-1-ol (71-36-3) → dibutyl thiodipropionate (6975-31-1)

Guidance literature:

With sulfuric acid; Heating;

Reference yield:

→ dibutyl thiodipropionate (6975-31-1)

Guidance literature:

aus H2S u. Acrylsaeure-n-butylester;

Reference yield:

acrylic acid n-butyl ester (141-32-2,9003-49-0) → dibutyl thiodipropionate (6975-31-1)

Guidance literature:

With ammonium hydroxide; hydrogen sulfide; at 40 - 50 ℃; under 760.051 Torr; Reagent/catalyst; Flow reactor;

upstream raw materials:

4-thiaheptane-1,7-dioic acid

butan-1-ol

acrylic acid n-butyl ester

Downstream raw materials:

thiodipropionic acid bis-n-dodecylamide

Refernces

• 1、 Kumar, Anil,Tilak, B. D.. "Esters of Thiodiglycollic and Thiodipropionic Acids and 2,5-Dicarboxy-3,4-dihydroxythiophene as Potential Slow Acting Anticancer Agents". . p. 880 - 882. Retrieved 2007/10/02.