N-[(alphaR,betaR)-beta-Hydroxy-alpha-methylphenethyl]benzamide

Base Information

• Chemical Name: N-[(alphaR,betaR)-beta-Hydroxy-alpha-methylphenethyl]benzamide
• CAS No.: 157903-42-9
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• DSSTox Substance ID: DTXSID40354913
• Nikkaji Number: J1.538.899D
• Mol file: 157903-42-9.mol

Synonyms:ZINC00284203;157903-42-9;SWKXFNVKDLDJBD-DOMZBBRYSA-;DTXSID40354913;InChI=1/C16H17NO2/c1-12(15(18)13-8-4-2-5-9-13)17-16(19)14-10-6-3-7-11-14/h2-12,15,18H,1H3,(H,17,19)/t12-,15+/m1/s1

Chemical Property of N-[(alphaR,betaR)-beta-Hydroxy-alpha-methylphenethyl]benzamide

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)NC(=O)C2=CC=CC=C2
• Isomeric SMILES: C[C@H]([C@@H](C1=CC=CC=C1)O)NC(=O)C2=CC=CC=C2

Technology Process of N-[(alphaR,betaR)-beta-Hydroxy-alpha-methylphenethyl]benzamide

There total 3 articles about N-[(alphaR,betaR)-beta-Hydroxy-alpha-methylphenethyl]benzamide 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: 92.0%

Norpseudoephedrine (37577-07-4,58550-13-3,757124-50-8) + benzoyl chloride (98-88-4) → threo (1R,2R)-1-phenyl-2-benzamido-1-propanol (157903-42-9)

Guidance literature:

In water; for 0.0833333h;

Reference yield:

benzoyl chloride (98-88-4) + 1-Phenyl-propane-1,2-dione 2-(O-trityl-oxime) → erythro (1S,2R)-1-phenyl-2-benzamido-1-propanol (126524-00-3) + N-((1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl)-benzamide; N-benzoyl-(+)-norpseudoephedrine (134522-09-1) + N-Benzoyl L phenyl alaninol (4380-71-6,5267-69-6,5267-71-0,38222-75-2,38222-76-3,126524-00-3,134522-09-1) + threo (1R,2R)-1-phenyl-2-benzamido-1-propanol (157903-42-9)

Guidance literature:

With dimethylsulfide borane complex; chiral amino alcohol derived from (-)-α-pinene B(OMe)3; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, 0-5 deg C, 2 h, reflux, 18 h; 2.) r.t., 0.5 h;

DOI:10.1016/S0040-4039(98)01019-3

Reference yield:

→ threo (1R,2R)-1-phenyl-2-benzamido-1-propanol (157903-42-9)

Guidance literature:

upstream raw materials:

Norpseudoephedrine

benzoyl chloride

Downstream raw materials:

(4R,5S)-4-methyl-2,5-diphenyl-2-oxazoline

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