Davy Reagent methyl

Base Information

• Chemical Name: Davy Reagent methyl
• CAS No.: 82737-61-9
• Molecular Formula: C2H6P2S6
• Molecular Weight: 284.41
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10403902
• Nikkaji Number: J743.833H
• Mol file: 82737-61-9.mol

Synonyms:Davy Reagent methyl;82737-61-9;2,4-Bis(methylthio)-1,3,2,4-dithiadiphosphetane 2,4-disulfide;2,4-Bis(methylthio)-1,3,2,4-dithiadiphosphetane-2,4-disulfide;2,4-bis(methylsulfanyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane;C2H6P2S6;1,3,2,4-Dithiadiphosphetane, 2,4-bis(methylthio)-, 2,4-disulfide;SCHEMBL1165089;DTXSID10403902;OIEQWZXDRGOGHA-UHFFFAOYSA-N;BCP31549;Davy Reagent methyl, technical grade;AKOS015903997;FT-0741398;2,4-bis(methylthio)-1,3,2,4-dithiadiphosphetan-2,4-disulfide;2,4-bis (methylthio)-1,3,2,4-dithiadiphosphetan-2,4-disulfide;Bexarotene intermediate3,Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-, methyl ester

Chemical Property of Davy Reagent methyl

Chemical Property:

• Vapor Pressure: 1.03E-05mmHg at 25°C
• Melting Point: 165-166℃
• Refractive Index: 1.754
• Boiling Point: 382.5 °C at 760 mmHg
• Flash Point: 185.1 °C
• PSA: 185.00000
• Density: 1.69 g/cm³
• LogP: 5.94260
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 283.82690123
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

Davy Reagent methyl technical grade ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N,F
• Statements: 22-51/53-10-61-50/53-11
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSP1(=S)SP(=S)(S1)SC

Technology Process of Davy Reagent methyl

There total 2 articles about Davy Reagent methyl 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: 60.0%

methanol (67-56-1) → 2,4-bis(methylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide (82737-61-9)

Guidance literature:

With tetraphosphorus decasulfide; In various solvent(s); at 160 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)96883-8

Reference yield: 53.0%

O,O-dimethyl phosphorodithioic acid (756-80-9) → 2,4-bis(methylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide (82737-61-9)

Guidance literature:

With tetraphosphorus decasulfide; In various solvent(s); at 160 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)96883-8

Reference yield: 89.0%

C9H11O3PS2 (54445-65-7) + 2,4-bis(methylthio)-1,3-dithia-2,4-diphosphetane-2,4-disulfide (82737-61-9) → methyl dithiobenzoate (2168-78-7)

Guidance literature:

at 130 ℃; for 0.2h;

DOI:10.1016/S0040-4020(01)96883-8

upstream raw materials:

methanol

O,O-dimethyl phosphorodithioic acid

Downstream raw materials:

methyl dithiobenzoate

2-(methylthio)tropothione

Thiobenzoic acid O-ethyl ester

S-ethyl dithiobenzoate

Refernces

• 1、 Davy, Hubert. "A Direct Conversion of Carboxylic Acids into Dithioesters". . p. 457 - 458. Retrieved 2007/10/02.