Methyl 2-benzhydrylsulfinylacetate

Base Information

• Chemical Name: Methyl 2-benzhydrylsulfinylacetate
• CAS No.: 63547-25-1
• Molecular Formula: C16H16O3S
• Molecular Weight: 288.367
• Hs Code.: 2930909090
• European Community (EC) Number: 680-806-2
• DSSTox Substance ID: DTXSID40434643
• Nikkaji Number: J450.829G
• Mol file: 63547-25-1.mol

Synonyms:63547-25-1;Methyl 2-benzhydrylsulfinylacetate;Modafinil Carboxylate Methyl Ester;METHYL (R)-(BENZHYDRYLSULFINYL)ACETATE;SCHEMBL1537276;DTXSID40434643;JFMZFATUMFWKEA-UHFFFAOYSA-N;methyl (-)-benzhydrylsulfinylacetate;Methyl (diphenylmethanesulfinyl)acetate;(R)-methyl2-(benzhydrylsulfinyl)acetate;(Benzhydrylsulfinyl)acetic acid methyl ester;Methyl [(RS)-(Diphenylmethyl)sulphinyl]acetate;A917990;Methyl [(RS)-(Diphenylmethyl)sulfinyl]acetate;Modafinil Imp. C (EP);Modafinil Impurity C

Chemical Property of Methyl 2-benzhydrylsulfinylacetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 85-87°C
• Boiling Point: 483.787°C at 760 mmHg
• Flash Point: 246.386°C
• PSA: 62.58000
• Density: 1.242g/cm³
• LogP: 3.56340
• Storage Temp.: -20?C Freezer
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 288.08201554
• Heavy Atom Count: 20
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CS(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• Uses: Modafinil derivative

Technology Process of Methyl 2-benzhydrylsulfinylacetate

There total 7 articles about Methyl 2-benzhydrylsulfinylacetate 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: 97.5%

→ methyl (S)-2-(benzhydrylsulfinyl)acetate (63547-25-1)

Guidance literature:

With ammonia; In water; at 70 ℃; pH=8; Purification / work up;

Reference yield: 92.3%

(-)-benzhydrylsulphinylacetic acid + dimethyl sulfate (77-78-1) → methyl (S)-2-(benzhydrylsulfinyl)acetate (63547-25-1)

Guidance literature:

With sodium carbonate; In water; acetone; at 20 ℃; for 21.5h; Product distribution / selectivity; Heating / reflux;

Reference yield: 90.1%

(-)-benzhydrylsulphinylacetic acid + methyl chloroformate (79-22-1) → methyl (S)-2-(benzhydrylsulfinyl)acetate (63547-25-1)

Guidance literature:

With triethylamine; In methanol; at 28 - 35 ℃; for 2.25h; Product distribution / selectivity;

upstream raw materials:

dimethyl sulfate

methyl chloroformate

modafinil acid

methanol

Downstream raw materials:

Modafinil

bis(diphenylmethyl)disulfide

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