3,3'-Thiodipropionyl dichloride

Base Information

• Chemical Name: 3,3'-Thiodipropionyl dichloride
• CAS No.: 18733-39-6
• Molecular Formula: C6H8 Cl2 O2 S
• Molecular Weight: 215.1
• Hs Code.: 2930909090
• European Community (EC) Number: 242-544-3
• UNII: H4S476T692
• DSSTox Substance ID: DTXSID50172044
• Nikkaji Number: J222.290F
• Wikidata: Q83042188
• Mol file: 18733-39-6.mol

Synonyms:18733-39-6;3,3'-Thiodipropionyl dichloride;3,3'-Thiodipropionyl chloride;3,3'-Thiobispropanoyl chloride;3-(3-chloro-3-oxopropyl)sulfanylpropanoyl chloride;3,3/'-Thiodipropionyl dichloride;Propionyl chloride, 3,3'-thiodi-;3,3'-Thiodipropanoyl chloride;3,3'-Thiodipropionic acid chloride;EINECS 242-544-3;Propanoyl chloride, 3,3'-thiobis-;3,3'-sulfanediyldipropanoyl chloride;H4S476T692;C6H8Cl2O2S;3,3'-thiodipropionoyl chloride;SCHEMBL6996338;C6-H8-Cl2-O2-S;UNII-H4S476T692;DTXSID50172044;3,3'-Thiobis(propanoic acid chloride)

Chemical Property of 3,3'-Thiodipropionyl dichloride

Chemical Property:

• Boiling Point: 292.2°Cat760mmHg
• Flash Point: 130.5°C
• PSA: 59.44000
• Density: 1.356g/cm³
• LogP: 2.03060
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 213.9622061
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

3,3''-Sulfanediyldipropanoylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSCCC(=O)Cl)C(=O)Cl

Technology Process of 3,3'-Thiodipropionyl dichloride

There total 2 articles about 3,3'-Thiodipropionyl dichloride 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: 80.0%

4-thiaheptane-1,7-dioic acid (111-17-1) → β,β'-thiodipropionic acid dichloroanhydride (18733-39-6)

Guidance literature:

With thionyl chloride; In benzene; Heating;

DOI:10.1007/BF00758564

Reference yield:

→ β,β'-thiodipropionic acid dichloroanhydride (18733-39-6)

Guidance literature:

entspr.S.;

DOI:10.1021/jo00444a032

Reference yield: 91.0%

β,β'-thiodipropionic acid dichloroanhydride (18733-39-6) + phenethylamine (64-04-0) → β,β'-thiodipropionic acid di-(2-phenylethylamide)

Guidance literature:

In dichloromethane; at 0 ℃; for 24h;

DOI:10.1007/BF00864333

upstream raw materials:

4-thiaheptane-1,7-dioic acid

Downstream raw materials:

C₃₀H₃₀I₆N₆O₁₀S

C₃₂H₃₄I₆N₆O₁₂S

2-[3-(3-{2-[3-(1-Carboxy-ethylcarbamoyl)-2,4,6-triiodo-5-methylcarbamoyl-phenylcarbamoyl]-ethylsulfanyl}-propionylamino)-2,4,6-triiodo-5-methylcarbamoyl-benzoylamino]-propionic acid

Dimethyl 3,3'-thiodipropionate

Refernces

• 1、 -. "Bifunctional cytotoxic agents". Page/Page column 71. . Retrieved 2018/11/02.
• 2、 Carroll, F. Ivy,Blough, Bruce E.,Huang, Xiaodong,Nie, Zhe,Mascarella, S. Wayne,Deschamps, Jeffrey,Navarro, Hernán A.. "Synthesis and monoamine transporter binding properties of 2,3-cyclo analogues of 3β-(4′-aminophenyl)-2β-tropanemethanol". . p. 4589 - 4594. Retrieved 2007/10/03.