[3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid

Base Information

• Chemical Name: [3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid
• CAS No.: 5423-12-1
• Molecular Formula: C₉H₁₄AsNO₅
• Molecular Weight: 291.135
• Hs Code.: 2931900090
• NSC Number: 11825
• DSSTox Substance ID: DTXSID001319438
• Nikkaji Number: J35.582H
• ChEMBL ID: CHEMBL2001251
• Mol file: 5423-12-1.mol

Synonyms:[3-AMINO-4-(2-HYDROXYPROPOXY)PHENYL]ARSONIC ACID;NSC11825;5423-12-1;Arsonic acid, (3-amino-4-(2-hydroxypropoxy)phenyl)-;Benzenearsonic acid, 3-amino-4(1-(2-hydroxy)propoxy)-;Arsonic acid, [3-amino-4-(2-hydroxypropoxy)phenyl]-;Benzenearsonic acid, 3-amino-4[1-(2-hydroxy)propoxy]-;NSC-11825;NSC 11825;BRN 3307890;3-Amino-4-(1-(2-hydroxy)propoxy)benzenearsonic acid;CHEMBL2001251;Benzenearsonic acid, 3-amino-4-(1-(2-hydroxy)propoxy)-;DTXSID001319438;WLN: QY1&1OR BZ D-AS-QQO;NCI60_000437;3-amino-4-(2-hydroxypropoxy)phenylarsonic acid

Chemical Property of [3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid

Chemical Property:

• Vapor Pressure: 1.87E-15mmHg at 25°C
• Boiling Point: 604.3°C at 760 mmHg
• Flash Point: 319.3°C
• PSA: 113.01000
• LogP: -0.82940
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 291.008792
• Heavy Atom Count: 16
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1=C(C=C(C=C1)[As](=O)(O)O)N)O

Technology Process of [3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid

There total 4 articles about [3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic 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:

[4-(2-hydroxy-propoxy)-3-nitro-phenyl]-arsonic acid (200705-64-2) → [3-amino-4-(2-hydroxy-propoxy)-phenyl]-arsonic acid (5423-12-1)

Guidance literature:

With sodium hydroxide; nickel; Hydrogenation;

DOI:10.1021/ja01312a028

Reference yield:

4-hydroxyphenylarsonic acid (98-14-6) → [3-amino-4-(2-hydroxy-propoxy)-phenyl]-arsonic acid (5423-12-1)

Guidance literature:

Multi-step reaction with 4 steps

1: aqueous NaOH-solution

2: nitric acid

3: aqueous sulfuric acid

4: Raney nickel; aqueous NaOH-solution / Hydrogenation

With sodium hydroxide; sulfuric acid; nitric acid; nickel;

DOI:10.1021/ja01312a028

Reference yield:

[4-(2-hydroxy-propoxy)-phenyl]-arsonic acid (5411-08-5) → [3-amino-4-(2-hydroxy-propoxy)-phenyl]-arsonic acid (5423-12-1)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid

2: aqueous sulfuric acid

3: Raney nickel; aqueous NaOH-solution / Hydrogenation

With sodium hydroxide; sulfuric acid; nitric acid; nickel;

DOI:10.1021/ja01312a028

upstream raw materials:

[4-(2-hydroxy-propoxy)-3-nitro-phenyl]-arsonic acid

4-hydroxyphenylarsonic acid

[4-(2-hydroxy-propoxy)-phenyl]-arsonic acid

[3-nitro-4-(2-nitryloxy-propoxy)-phenyl]-arsonic acid