1-(Benzylsulfanyl)propan-2-ol

Base Information

• Chemical Name: 1-(Benzylsulfanyl)propan-2-ol
• CAS No.: 5877-10-1
• Molecular Formula: C10H14OS
• Molecular Weight: 182.287
• DSSTox Substance ID: DTXSID70527431
• Nikkaji Number: J2.472.329A

Synonyms:1-(benzylthio)propan-2-ol;1-(Benzylsulfanyl)propan-2-ol;5877-10-1;1-benzylsulfanyl-propan-2-ol;1-(benzylsulfanyl)-2-propanol;SCHEMBL10725573;DTXSID70527431

Chemical Property of 1-(Benzylsulfanyl)propan-2-ol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 182.07653624
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSCC1=CC=CC=C1)O

Technology Process of 1-(Benzylsulfanyl)propan-2-ol

There total 9 articles about 1-(Benzylsulfanyl)propan-2-ol 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: 93.0%

phenylmethanethiol (100-53-8) + methyloxirane (75-56-9,16033-71-9) → (RS)-1-benzylthiopropan-2-ol (5877-10-1)

Guidance literature:

In water; at 25 ℃; for 19h;

DOI:10.1080/00397910701548100

Reference yield: 90.0%

2-[bis(benzylthio)methylene]-3-oxo-N-o-tolylbutanamide (875778-80-6) + methyloxirane (75-56-9,16033-71-9) → (RS)-1-benzylthiopropan-2-ol (5877-10-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 0.833333h;

DOI:10.1055/s-2006-958438

Reference yield: 28.0%

Tetrathiophosphoric acid dibenzyl ester; compound with triethyl-amine (85563-56-0) + methyloxirane (75-56-9,16033-71-9) → (RS)-1-benzylthiopropan-2-ol (5877-10-1) + 2-Benzylsulfanyl-5-methyl-[1,3,2]oxathiaphospholane 2-sulfide (145532-12-3)

Guidance literature:

With boron trifluoride diethyl etherate; In chloroform; 1) -30 deg C, 3-4 h, 2) rt, overnight;

upstream raw materials:

sodium benzylmercaptide

1-Chloro-2-propanol

phenylmethanethiol

methyloxirane

Downstream raw materials:

1-(phenylmethylsulfonyl)propan-2-ol

(R)-1-benzylthiopropan-2-yl acetate

benzyl 2-propenyl sulfone

benzyl-(2-chloro-propyl)-sulfone

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