3-Aminophthalic acid hydrochloride

Base Information

• Chemical Name: 3-Aminophthalic acid hydrochloride
• CAS No.: 6946-22-1
• Molecular Formula: C8H7 N O4 . Cl H
• Molecular Weight: 217.609
• Hs Code.: 2922499990
• European Community (EC) Number: 230-106-4
• NSC Number: 127008,56716
• DSSTox Substance ID: DTXSID3064514
• Mol file: 6946-22-1.mol

Synonyms:3-Aminophthalic acid hydrochloride;6946-22-1;1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride;3-aminophthalic acid;hydrochloride;3-Aminophthalic acid, HCl;3-AMINOPHTHALIC ACID HCL;EINECS 230-106-4;NSC 56716;NSC 127008;Phthalic acid, 3-amino-, hydrochloride;Phthalic acid, hydrochloride;1, 3-amino-, hydrochloride;3-Aminobenzene-1,2-dicarboxylic acid hydrochloride;1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1);3-amino phthalic acid hydrochloride;C8H7NO4.ClH;C8-H7-N-O4.Cl-H;ghl.PD_Mitscher_leg0.1315;3-Aminophthalicacidhydrochloride;SCHEMBL2285638;DTXSID3064514;AMY4086;BCP13262;NSC56716;MFCD00017644;NSC-56716;NSC127008;AKOS005217022;NSC-127008;AC-30415;DS-15972;CS-0040845;FT-0615057;3-Aminophthalic acid hydrochloride, AldrichCPR;EN300-7392923;A836506

Chemical Property of 3-Aminophthalic acid hydrochloride

Chemical Property:

• Appearance/Colour: off-white to yellow-beige crystalline powder
• Vapor Pressure: 2.17E-08mmHg at 25°C
• Melting Point: 182 °C
• Boiling Point: 436.4°C at 760 mmHg
• Flash Point: 217.7°C
• PSA: 100.62000
• LogP: 2.04840
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Very Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.0141854
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

98% ^*data from raw suppliers

3-AminophthalicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
• Uses: 3-Aminophthalic Acid Hydrochloride is a reactant used in the preparation of local anesthetics.

Technology Process of 3-Aminophthalic acid hydrochloride

There total 2 articles about 3-Aminophthalic acid hydrochloride 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-nitrophthalic acid (603-11-2) → 3-aminophthalic acid hydrochloride (6946-22-1)

Guidance literature:

With sodium hydroxide; acetic acid; PtO₂; In water; acetone;

Reference yield:

3-aminophthalic acid (5434-20-8,857040-74-5) → 3-aminophthalic acid hydrochloride (6946-22-1)

Guidance literature:

With hydrogenchloride; In water; at 25 ℃; for 15h;

Reference yield: 94.0%

rac-α-aminoglutarimide hydrochloride (24666-56-6,2686-86-4) + 3-aminophthalic acid hydrochloride (6946-22-1) → pomalidomide (19171-19-8,202271-89-4)

Guidance literature:

rac-α-aminoglutarimide hydrochloride; 3-aminophthalic acid hydrochloride; In acetonitrile; for 0.25h;

With triethylamine; In water; acetonitrile; at 15 - 87 ℃; for 49.0833 - 50.8333h; Product distribution / selectivity;

upstream raw materials:

3-nitrophthalic acid

3-aminophthalic acid

Downstream raw materials:

meta-aminobenzoic acid

pomalidomide

Apremilast

3-acetylaminophthalic anhydride

Refernces

• 1、 -. "Method for preparing 3-aminophthalic acid". Paragraph 0008. . Retrieved 2017/09/01.
• 2、 -. "Acrylamide copolymers containing (meth)acrylamide benzene dicarboxylic units". . . Retrieved 2008/06/13.