Sodium 2-methyl-2-propanethiolate

Base Information

• Chemical Name: Sodium 2-methyl-2-propanethiolate
• CAS No.: 29364-29-2
• Molecular Formula: C4H10 S . Na
• Molecular Weight: 112.171
• Hs Code.: 2930909090
• European Community (EC) Number: 629-548-4
• Nikkaji Number: J397.220H
• Mol file: 29364-29-2.mol

Synonyms:Sodium 2-methyl-2-propanethiolate;29364-29-2;Sodium 2-methylpropane-2-thiolate;sodium;2-methylpropane-2-thiolate;2-Methyl-2-propanethiol sodium salt;SODIUM2-METHYL-2-PROPANETHIOLATE;Sodium tert-butyl sulfide;t-Butanethiol sodium salt;tBuSNa;tert-butylsulfanylsodium;SCHEMBL377130;TUZFIWBNGKNFPW-UHFFFAOYSA-M;sodium 2-methyl-propane-2-thiolate;MFCD00043311;AT13951;FT-0723868;J-017484;Sodium 2-methyl-2-propanethiolate, ~97% (titration);Sodium 2-methyl-2-propanethiolate, technical grade, 90%;Sodium 2-methyl-2-propanethiolate, technical, >=90% (RT)

Chemical Property of Sodium 2-methyl-2-propanethiolate

Chemical Property:

• Melting Point: 0°C
• Boiling Point: 0°C
• Flash Point: 0°C
• PSA: 25.30000
• LogP: 1.98240
• Storage Temp.: Store at RT.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 112.03226574
• Heavy Atom Count: 6
• Complexity: 29

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sodium 2-methyl-2-propanethiolate technical grade, 90% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-28-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)[S-].[Na+]

Technology Process of Sodium 2-methyl-2-propanethiolate

There total 1 articles about Sodium 2-methyl-2-propanethiolate 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:

2-(2-chloro-ethylsulfanyl)-2-methyl-propane (4303-44-0) + toluene (108-88-3,15644-74-3,16713-13-6) → ethene (74-85-1) + sodium tert-butyl thiolate (29364-29-2)

Guidance literature:

Reference yield: 90.0%

sodium tert-butyl thiolate (29364-29-2) + 2-chloro-ethanol (107-07-3) → 2-tert-butylsulfanylethanol (5396-50-9)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1016/0957-4166(96)00135-8

Reference yield: 80.0%

sodium tert-butyl thiolate (29364-29-2) → {5-[(1,1-dimethylethyl)thio]-4-[(phenylmethyl)oxy]-2-pyridinyl}methyl acetate (943026-54-8)

Guidance literature:

(4-[(phenylmethyl)oxy]-5-{[(trifluoromethyl)sulfonyl]oxy}-2-pyridinyl)methyl acetate; With (R)-(+)-2,2’-bis(diphenylphosphino)-1,1’-binaphthalene; palladium diacetate; In toluene; for 0.166667h;

sodium tert-butyl thiolate; In toluene; at 80 ℃; for 7h;

upstream raw materials:

2-(2-chloro-ethylsulfanyl)-2-methyl-propane

toluene

Downstream raw materials:

Si(St-bu)4

(Ξ)-1-tert-butylsulfanyl-2-phenylsulfanyl-ethylene

di-tert-butyl disulfide

chloro-tris-(t-butylhio)-silane