(Benzhydryloxy)acetic acid

Base Information

• Chemical Name: (Benzhydryloxy)acetic acid
• CAS No.: 21409-25-6
• Molecular Formula: C15H14 O3
• Molecular Weight: 242.274
• European Community (EC) Number: 823-212-2
• UNII: 5EX98UAT82
• Nikkaji Number: J581.523A
• Mol file: 21409-25-6.mol

Synonyms:(diphenylmethoxy)acetate;(diphenylmethoxy)acetic acid;diphenylmethoxyacetic acid;diphenylmethoxyacetic acid, sodium salt;DPMA acid

Chemical Property of (Benzhydryloxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.77E-07mmHg at 25°C
• Melting Point: 99-100 °C
• Boiling Point: 377.8°Cat760mmHg
• PKA: 3.30±0.10(Predicted)
• Flash Point: 140.1°C
• PSA: 46.53000
• Density: 1.189g/cm³
• LogP: 2.87720
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

2-METHOXY-2,2-DIPHENYLACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)O
• Uses: 2-(diphenylmethoxy)acetic acid is a metabolite of diphenhydramine. Diphenhydramine is used in the treatment of numerous allergic ailments such as allergic rhinitis, asthma, anaphylaxis and others.

Technology Process of (Benzhydryloxy)acetic acid

There total 7 articles about (Benzhydryloxy)acetic acid 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: 95.0%

1,1-Diphenylmethanol (91-01-0) + ethyl bromoacetate (105-36-2) → Acetic acid,2-(diphenylmethoxy) (21409-25-6)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In water; benzene; at 20 ℃; for 24h;

DOI:10.1021/jo051568z

Reference yield: 33.0%

→ Acetic acid,2-(diphenylmethoxy) (21409-25-6)

Guidance literature:

Reference yield:

ethyl 2-(benzhydryloxy)acetate (118286-11-6) → Acetic acid,2-(diphenylmethoxy) (21409-25-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ol0491235

upstream raw materials:

benzhydrol sodium salt

bromoacetic acid

chloroacetic acid

glycolic Acid

Downstream raw materials:

2-benzhydryloxy-N-methoxy-N-methyl-acetamide

Refernces

• 1、 -. "HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS". Page/Page column 23. . Retrieved 2008/06/13.
• 2、 Andrus, Merritt B.,Hicken, Erik J.,Stephens, Jeffrey C.,Bedke, D. Karl. "Total synthesis of the hydroxyketone kurasoin A using asymmetric phase-transfer alkylation". . p. 8651 - 8654. Retrieved 2007/10/03.