1,3-Dimercapto-2-propanol

Base Information

• Chemical Name: 1,3-Dimercapto-2-propanol
• CAS No.: 584-04-3
• Molecular Formula: C3H8 O S2
• Molecular Weight: 124.228
• European Community (EC) Number: 209-528-8
• NSC Number: 20518
• UNII: 54G5462DAT
• DSSTox Substance ID: DTXSID30207106
• Nikkaji Number: J188.451D
• Wikidata: Q27261215
• Mol file: 584-04-3.mol

Synonyms:1,3-dimercapto-2-propanol;1,3-DMPP

Chemical Property of 1,3-Dimercapto-2-propanol

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 268°Cat760mmHg
• Flash Point: 115.9°C
• PSA: 97.83000
• Density: 1.194g/cm³
• LogP: 0.20690
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.00165722
• Heavy Atom Count: 6
• Complexity: 28

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CS)O)S

Technology Process of 1,3-Dimercapto-2-propanol

There total 11 articles about 1,3-Dimercapto-2-propanol 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: 64.0%

poly(1-hydroxymethylethylenedisulfide) → 1,3-dimercapto-2-propanol (584-04-3) + 2,3-dimercaptopropanol (59-52-9)

Guidance literature:

poly(1-hydroxymethylethylenedisulfide); With sodium hydroxide; hydrazine hydrate; In water; at 75 ℃; for 2h;

lead acetate; In water;

With hydrogen sulfide; In diethyl ether;

Reference yield: 62.0%

poly(2-hydroxypropylenedisulfide) → 1,3-dimercapto-2-propanol (584-04-3) + 2,3-dimercaptopropanol (59-52-9)

Guidance literature:

poly(2-hydroxypropylenedisulfide); With sodium hydroxide; hydrazine hydrate; In water; at 75 ℃; for 2h;

lead acetate; In water;

With hydrogen sulfide; In diethyl ether;

Reference yield: 59.0%

1,3-Dichloro-2-propanol (96-23-1) → 1,3-dimercapto-2-propanol (584-04-3)

Guidance literature:

With sodium trithiocarbonate; at 20 - 60 ℃; for 5h;

DOI:10.1021/ja408792k

upstream raw materials:

1,3-Dichloro-2-propanol

1,3-dibromo-2-hydroxypropane

2-acetoxy-1,3-bis-acetylsulfanyl-propane

epichlorohydrin

Downstream raw materials:

2-phenyl-[1.3.2]dithiarsenanol-⁽⁵⁾

trans-2-phenyl-[1,3]dithian-5-ol

1,3-bis-benzylsulfanyl-propan-2-ol

1,3-bis(methylthio)propan-2-ol

Refernces

• 1、 Ma, Huilong,Zhang, Junmin,Zhang, Zhenzhe,Liu, Yaping,Fang, Jianguo. "A fast response and red emission probe for mammalian thioredoxin reductase". . p. 12060 - 12063. Retrieved 2016.
• 2、 Zhao, Jintao,Qu, Yuan,Gao, Hao,Zhong, Miao,Li, Xinming,Zhang, Fang,Chen, Yaxiong,Gan, Lu,Hu, Guodong,Zhang, Hong,Zhang, Shengxiang,Fang, Jianguo. "Loss of thioredoxin reductase function in a mouse stroke model disclosed by a two-photon fluorescent probe". supporting information. p. 14075 - 14078. Retrieved 2020/11/21.