4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid

Base Information

Chemical Name:4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid
CAS No.:80576-76-7
Molecular Formula:C₁₆H₁₆N₆O₂
Molecular Weight:324.342
Hs Code.:
ChEMBL ID:CHEMBL538651
DSSTox Substance ID:DTXSID00574554

Synonyms:4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid;80576-76-7;CHEMBL538651;DTXSID00574554

Suppliers and Price of 4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:324.13347377
Heavy Atom Count:24
Complexity:442

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O

Technology Process of 4-[1-(2,4-Diaminopteridin-6-yl)propan-2-yl]benzoic acid

There total 6 articles about 4-[1-(2,4-Diaminopteridin-6-yl)propan-2-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:

: 272779-22-3
4-[1-carboxy-2-(2,4-diamino-pteridin-6-yl)-1-methyl-ethyl]-benzoic acid

: 80576-76-7
4-amino-4-deoxy-10-methyl-10-deazapteroic acid

Guidance literature:: In dimethyl sulfoxide; at 135 ℃; for 6h;
DOI:10.1021/jm990630f

Reference yield:

: 52787-14-1
methyl 4-(2-methoxy-2-oxoethyl)benzoate

: 80576-76-7
4-amino-4-deoxy-10-methyl-10-deazapteroic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: NaH / tetrahydrofuran / 1 h / 0 °C

1.2: 56 percent / tetrahydrofuran / 16.5 h / 0 - 20 °C

2.1: NaH / dimethylformamide / 0.08 h / 0 °C

2.2: dimethylformamide / 2.5 h / 10 °C

3.1: 5 N NaOH / dimethylsulfoxide / 0.08 h / 20 °C

4.1: dimethylsulfoxide / 6 h / 135 °C

With sodium hydroxide; sodium hydride; In tetrahydrofuran; dimethyl sulfoxide; N,N-dimethyl-formamide; 1.1: Metallation / 1.2: Methylation / 2.1: Metallation / 2.2: Alkylation / 3.1: Hydrolysis / 4.1: Decarboxylation;
DOI:10.1021/jm990630f

Reference yield:

: 77959-48-9
4-(1-methoxycarbonyl-ethyl)-benzoic acid methyl ester

: 80576-76-7
4-amino-4-deoxy-10-methyl-10-deazapteroic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaH / dimethylformamide / 0.08 h / 0 °C

1.2: dimethylformamide / 2.5 h / 10 °C

2.1: 5 N NaOH / dimethylsulfoxide / 0.08 h / 20 °C

3.1: dimethylsulfoxide / 6 h / 135 °C

With sodium hydroxide; sodium hydride; In dimethyl sulfoxide; N,N-dimethyl-formamide; 1.1: Metallation / 1.2: Alkylation / 2.1: Hydrolysis / 3.1: Decarboxylation;
DOI:10.1021/jm990630f