(3-Carboxy-5-hydroxyphenyl)azanium;chloride

Base Information

• Chemical Name: (3-Carboxy-5-hydroxyphenyl)azanium;chloride
• CAS No.: 14206-69-0
• Molecular Formula: C7H8ClNO3
• Molecular Weight: 189.598
• Hs Code.: 2922509090
• Mol file: 14206-69-0.mol

Synonyms:

Chemical Property of (3-Carboxy-5-hydroxyphenyl)azanium;chloride

Chemical Property:

• Vapor Pressure: 5.2E-09mmHg at 25°C
• Melting Point: 269-272 °C (decomp)
• Boiling Point: 453.4 °C at 760 mmHg
• Flash Point: 228 °C
• PSA: 83.55000
• LogP: 2.05580
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.0192708
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%, ^*data from raw suppliers

3-Amino-5-hydroxybenzoicacid,HydrochloricAcidSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1[NH3+])O)C(=O)O.[Cl-]
• Uses: 3-Amino-5-hydroxybenzoic acid, HCl

Technology Process of (3-Carboxy-5-hydroxyphenyl)azanium;chloride

There total 5 articles about (3-Carboxy-5-hydroxyphenyl)azanium;chloride 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: 90.0%

3-hydroxy-5-nitrobenzoic acid (78238-14-9) → 3-amino-5-hydroxybenzoic acid hydrochloride (14206-69-0)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In water; at 20 ℃; for 5h;

DOI:10.1021/ol802631c

Reference yield: 68.0%

3,5-Dihydroxybenzoic acid (99-10-5) → 3-amino-5-hydroxybenzoic acid hydrochloride (14206-69-0)

Guidance literature:

3,5-Dihydroxybenzoic acid; With ammonium hydroxide; ammonium chloride; In water; at 180 ℃; for 40h; Sealed tube;

With hydrogenchloride; In water; for 16h; Reflux;

DOI:10.1021/ja105891a

Reference yield:

methyl 3,5-dinitrobenzoate (2702-58-1) → 3-amino-5-hydroxybenzoic acid hydrochloride (14206-69-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 63 percent / MeOLi / 4 h / Heating

2: 79 percent / 48percent aq. HBr, AcOH / 22 h / Heating

3: 88 percent / 0.5 M aq. HCl, H₂ / 10percent Pd/C / 2 h / 760 Torr

With hydrogenchloride; lithium methanolate; hydrogen bromide; hydrogen; acetic acid; palladium on activated charcoal;

upstream raw materials:

3,5-Dihydroxybenzoic acid

3-hydroxy-5-nitrobenzoic acid

3,5-disulfonicbenzoic acid

methyl 3,5-dinitrobenzoate

Downstream raw materials:

3-acetylamino-5-hydroxybenzoic acid

3-fluorenylmethoxycarbonylamino-5-hydroxybenzoic acid

C₁₈H₂₈N₂O₉

C₁₅H₂₂N₂O₈

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