CID 53471699

Base Information

• Chemical Name: CID 53471699
• CAS No.: 7631-93-8
• Molecular Formula: C8H7NaO3
• Molecular Weight: 174.132
• Mol file: 7631-93-8.mol

Synonyms:SCHEMBL416476

Chemical Property of CID 53471699

Chemical Property:

• Vapor Pressure: 0.07mmHg at 25°C
• Boiling Point: 222°C at 760 mmHg
• Flash Point: 86.8°C
• PSA: 49.36000
• LogP: 1.61700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.03711339
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1O.[Na]

Technology Process of CID 53471699

There total 3 articles about CID 53471699 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:

methyl 2-(2-chloro-2-phenylacetoxy)benzoate (855850-02-1) → phenylketene (3496-32-0) + sodium o-methoxycarbonylphenolate (7631-93-8)

Guidance literature:

With disodium telluride; In tetrahydrofuran; at -78 ℃; for 0.0666667h;

DOI:10.1021/jo050070u

Reference yield:

2-(phenylacetoxy)benzoic acid methyl ester (93012-49-8) → sodium o-methoxycarbonylphenolate (7631-93-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaHMDS / tetrahydrofuran / -20 °C

2: 94 percent / CH₂Cl₂ / 20 °C

3: Na₂Te / tetrahydrofuran / 0.07 h / -78 °C

With disodium telluride; sodium hexamethyldisilazane; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo050070u

Reference yield:

methyl salicylate (119-36-8,8024-54-2) → sodium o-methoxycarbonylphenolate (7631-93-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / CH₂Cl₂ / 20 °C

2: Na₂Te / tetrahydrofuran / 0.07 h / -78 °C

With disodium telluride; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo050070u

upstream raw materials:

methyl 2-(2-chloro-2-phenylacetoxy)benzoate

2-(phenylacetoxy)benzoic acid methyl ester

methyl salicylate

Downstream raw materials:

2-methoxybenzoic acid methyl ester

2-benzyloxybenzoic acid

methyl 2-(benzyloxy)benzoate

2-ethoxybenzoic acid