Propanamide, 3,3'-thiobis-

Base Information

• Chemical Name: Propanamide, 3,3'-thiobis-
• CAS No.: 5459-10-9
• Molecular Formula: C6H12N2O2S
• Molecular Weight: 176.239
• Hs Code.: 2930909090
• European Community (EC) Number: 226-725-4
• NSC Number: 24202
• UNII: TDW8O1OW0J
• DSSTox Substance ID: DTXSID3063910
• Nikkaji Number: J32.952E
• Wikidata: Q81991088
• Mol file: 5459-10-9.mol

Synonyms:Propanamide, 3,3'-thiobis-;5459-10-9;3-[(3-amino-3-oxopropyl)thio]propanamide;3,3'-Thiodipropionamide;3-(3-amino-3-oxopropyl)sulfanylpropanamide;4-Thia-dipropionic acid 1,7-diamide;3,3'-Thiobis(propionamide);Propionamide, 3,3'-thiobis-;3,3'-thiodipropanamide;TDW8O1OW0J;.beta.,.beta.'-Thiodipropionamide;NSC-24202;3,3'-Thiobis[propionamide];NSC24202;Thiodipropionic amide;3-[(2-carbamoylethyl)sulfanyl]propanamide;3,3'-Thiobispropanamide;Maybridge1_004920;Propanamide,3'-thiobis-;UNII-TDW8O1OW0J;3,3'-Thiobispropionamide;Propionamide,3'-thiobis-;beta,beta'-Thiodipropionamide;SCHEMBL788769;DTXSID3063910;HMS555H14;BETA,BETA-THIODIPROPIONAMIDE;3,3'-THIOBIS(PROPANAMIDE);EINECS 226-725-4;CCG-55336;NSC 24202;AKOS005143117;KM 09274;EU-0051376;FT-0635734;SR-01000644365-1;F0300-0217

Chemical Property of Propanamide, 3,3'-thiobis-

Chemical Property:

• Boiling Point: 512.7 °C at 760 mmHg
• Flash Point: 263.9 °C
• PSA: 111.48000
• Density: 1.231 g/cm³
• LogP: 0.87100
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 176.06194880
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

3-[(3-AMINO-3-OXOPROPYL)THIO]PROPANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanamide, 3,3'-thiobis-

There total 6 articles about Propanamide, 3,3'-thiobis- 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: 68.0%

Dimethyl 3,3'-thiodipropionate (4131-74-2) → thiodipropionic acid bis-amide (5459-10-9)

Guidance literature:

With ammonium hydroxide; In methanol; at 60 ℃; for 4h;

Reference yield:

4-thiaheptane-1,7-dioic acid (111-17-1) → thiodipropionic acid bis-amide (5459-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₃ / 1.33 h / Heating

2: NH₃ / H₂O / Heating

With thionyl chloride; ammonia; In water; 1: Substitution / 2: Substitution;

DOI:10.1039/a900830f

Reference yield:

2-propenamide (79-06-1,12624-24-7,25038-45-3,27754-57-0,33338-03-3,39387-77-4,68247-81-4,9082-06-8,79079-15-5) → thiodipropionic acid bis-amide (5459-10-9)

Guidance literature:

With sodium sulfide; ethanol; hydrogen sulfide;

DOI:10.1021/ja01629a057

upstream raw materials:

2-propenamide

4-thiaheptane-1,7-dioic acid

urea

Dimethyl 3,3'-thiodipropionate

Downstream raw materials:

thiodipropionic acid bis-n-dodecylamide

3,3'-thiobis-propanenitrile

dihexadecyl 3,3'-thiodipropionate

dilauryl thiodipropionate

Refernces

• 1、 -. "Corresponding amine nitrile and method of manufacturing thereof (by machine translation)". Paragraph 0124; 0125; 0126; 0129. . Retrieved 2018/07/15.
• 2、 Gawandi,Mohan,Mittal. "Structure-reactivity studies on .OH radical reaction with substituted dialkyl sulfides". . p. 1425 - 1432. Retrieved 2007/10/03.