(R)-2-(Formyloxy)-2-phenylacetic acid

Base Information

• Chemical Name: (R)-2-(Formyloxy)-2-phenylacetic acid
• CAS No.: 29169-63-9
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 2918990090
• Nikkaji Number: J250.780C
• Mol file: 29169-63-9.mol

Synonyms:(R)-2-(Formyloxy)-2-phenylacetic acid;(2R)-2-(formyloxy)-2-phenylacetic acid;SCHEMBL3036250;CS-0105668;NS00051326

Chemical Property of (R)-2-(Formyloxy)-2-phenylacetic acid

Chemical Property:

• Vapor Pressure: 0.000348mmHg at 25°C
• Boiling Point: 305.9°Cat760mmHg
• PKA: 2.41±0.10(Predicted)
• Flash Point: 123.7°C
• PSA: 63.60000
• Density: 1.307g/cm³
• LogP: 1.62120
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-2-(Formyloxy)-2-phenylacetic acid

There total 1 articles about (R)-2-(Formyloxy)-2-phenylacetic 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:

formic acid (64-18-6) + (R)-Mandelic Acid (611-71-2) → (R)-formiloxy(phenyl)acetic acid (29169-63-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

Reference yield:

(R)-formiloxy(phenyl)acetic acid (29169-63-9) → Cefamandole nafate (57268-80-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dicyclohexyl-carbodiimide / acetone / 20 °C / Large scale

2: ethanol / 10 h / 20 °C / Large scale

With dicyclohexyl-carbodiimide; In ethanol; acetone;

Reference yield:

(R)-formiloxy(phenyl)acetic acid (29169-63-9) → cefamandole nafate (42540-40-9)

Guidance literature:

Multi-step reaction with 3 steps

1: dicyclohexyl-carbodiimide / acetone / 20 °C / Large scale

2: ethanol / 10 h / 20 °C / Large scale

3: sodium valerate / ethyl acetate / 12 h / 0 °C / Large scale

With sodium valerate; dicyclohexyl-carbodiimide; In ethanol; ethyl acetate; acetone;

upstream raw materials:

formic acid

(R)-Mandelic Acid

Downstream raw materials:

D-2-phenyl-2-formyloxyacetyl chloride

7-[(1-hydroxy-1-phenyl)-acetamido]-3-acetoxymethyl-Δ³-cephem-4-carboxylic acid

(2'R,6R,7R)-3-acetoxymethyl-7-formyloxy(phenyl)acetylaminoceph-3-em-4-carboxylic acid

4-nitrobenzyl (2'R,6R,7S)-hydroxy(phenyl)acetylamino-7-methylthio-3-methylceph-3-em-4-carboxylate

Refernces