3-BUTOXY-4-NITROBENZOIC ACID

Base Information

• Chemical Name: 3-BUTOXY-4-NITROBENZOIC ACID
• CAS No.: 72101-53-2
• Molecular Formula: C11H13NO5
• Molecular Weight: 239.228
• Hs Code.: 2918990090
• Mol file: 72101-53-2.mol

Synonyms:NSC 76562;

Chemical Property of 3-BUTOXY-4-NITROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 6.85E-08mmHg at 25°C
• Refractive Index: 1.557
• Boiling Point: 422.441 °C at 760 mmHg
• Flash Point: 209.285 °C
• PSA: 92.35000
• Density: 1.277 g/cm³
• LogP: 2.99510

Purity/Quality:

99% ^*data from raw suppliers

3-BUTOXY-4-NITROBENZOIC ACID Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Butoxy-4-nitrobenzoic Acid is used in preparation of Oxybuprocaine Hydrochloride.

Technology Process of 3-BUTOXY-4-NITROBENZOIC ACID

There total 5 articles about 3-BUTOXY-4-NITROBENZOIC 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:

methyl 3-butoxy-4-nitrobenzoate (1309686-09-6) → 3-butoxy-4-nitrobenzoic acid (72101-53-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;

DOI:10.7554/eLife.26857

Reference yield:

ethyl 3-butoxy-4-nitrobenzoate → 3-butoxy-4-nitrobenzoic acid (72101-53-2)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 1h;

Reference yield:

methyl 3-hydroxy-4-nitrobenzoate (713-52-0) → 3-butoxy-4-nitrobenzoic acid (72101-53-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C

2: sodium hydroxide / methanol; tetrahydrofuran; water / 12 h / 20 °C

With potassium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

DOI:10.7554/eLife.26857

upstream raw materials:

methyl 3-hydroxy-4-nitrobenzoate

methyl 3-butoxy-4-nitrobenzoate

ethyl 3-hydroxy-4-nitro-benzoate

Downstream raw materials:

4-[(3-butoxy-4-nitrobenzoyl)amino]-3-isobutoxybenzamide

3-butoxy-4-[(3-butoxy-4-nitrobenzoyl)amino]benzamide

methyl 3-butoxy-4-nitrobenzoate

benoxinate

Refernces

• 1、 Raj, Ganesh V.,Sareddy, Gangadhara Reddy,Ma, Shihong,Lee, Tae-Kyung,Viswanadhapalli, Suryavathi,Li, Rui,Liu, Xihui,Murakami, Shino,Chen, Chien-Cheng,Lee, Wan-Ru,Mann, Monica,Krishnan, Samaya Rajeshwari,Manandhar, Bikash,Gonugunta, Vijay K.,Strand, Douglas,Tekmal, Rajeshwar Rao,Ahn, Jung-Mo,Vadlamudi, Ratna K.. "Estrogen receptor coregulator binding modulators (ERXs) effectively target estrogen receptor positive human breast cancers". . . Retrieved 2017/09/18.