4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID

Base Information

• Chemical Name: 4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID
• CAS No.: 216959-98-7
• Molecular Formula: C11H9N3O2
• Molecular Weight: 215.211
• Hs Code.: 2933599090
• Mol file: 216959-98-7.mol

Synonyms:4-(2-amino-4-pyrimidinyl)benzoic acid;4-(2-amino-4-pyrimidyl)benzoic acid;

Chemical Property of 4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID

Chemical Property:

• Boiling Point: 525.5±52.0 °C(Predicted)
• PKA: 3.55±0.10(Predicted)
• PSA: 89.83000
• Density: 1.379±0.06 g/cm3(Predicted)
• LogP: 1.35410

Purity/Quality:

99%, ^*data from raw suppliers

4-(2-Aminopyrimidin-4-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(2-Aminopyrimidin-4-yl)benzoic Acid can be used to treat disorders mediated by inappropriate ROCK-1 activity.

Technology Process of 4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC ACID

There total 1 articles about 4-(2-AMINOPYRIMIDIN-4-YL)BENZOIC 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:

guanidine hydrochloride (50-01-1) + (E)-methyl 4-(3-(dimethylamino)acryloyl)benzoate (114431-72-0) → 4-(2-aminopyrimidin-4-yl)benzoic acid (216959-98-7)

Guidance literature:

guanidine hydrochloride; (E)-methyl 4-(3-(dimethylamino)acryloyl)benzoate; With potassium carbonate; In 2-methoxy-ethanol; at 20 ℃; Heating / reflux;

With acetyl chloride; In methanol; for 3h;

Reference yield: 30.0%

4-(2-aminopyrimidin-4-yl)benzoic acid (216959-98-7) + 4-methoxy-benzylamine (2393-23-9) → 4-(2-amino-4-pyrimidinyl)-N-{[4-(methyloxy)phenyl]methyl}benzamide (862723-07-7)

Guidance literature:

4-(2-aminopyrimidin-4-yl)benzoic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

With benzotriazol-1-ol; In N,N-dimethyl-formamide; for 0.166667h;

4-methoxy-benzylamine; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

4-(2-aminopyrimidin-4-yl)benzoic acid (216959-98-7) + (2S)-2-phenylglycinol (20989-17-7) → 4-(2-aminopyrimidin-4-yl)-N-[1-(3-(S)-chlorophenyl)-2-hydroxyethyl]benzamide

Guidance literature:

4-(2-aminopyrimidin-4-yl)benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); for 0.166667h;

(2S)-2-phenylglycinol; In DMF (N,N-dimethyl-formamide); for 24h;

upstream raw materials:

guanidine hydrochloride

(E)-methyl 4-(3-(dimethylamino)acryloyl)benzoate

Downstream raw materials:

4-(2-amino-4-pyrimidinyl)-N-{[4-(methyloxy)phenyl]methyl}benzamide