4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Base Information

Chemical Name:4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid
CAS No.:146464-92-8
Molecular Formula:C19H16N6O4
Molecular Weight:392.374
Hs Code.:2933990090
European Community (EC) Number:695-813-6
DSSTox Substance ID:DTXSID00447476
Mol file:146464-92-8.mol

Synonyms:146464-92-8;4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid;4-[2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic Acid;6-Pteridinepropanoic acid, 2,4-diamino-.alpha.-(4-carboxyphenyl)-.alpha.-2-propyn-1-yl-;SCHEMBL15054326;DTXSID00447476;ILBWWYWWFMIPHY-UHFFFAOYSA-N;CS-M2254;WFA46492;AKOS016004117;6-Pteridinepropanoic acid, 2,4-diamino-alpha-(4-carboxyphenyl)-alpha-2-propyn-1-yl-;CS-14080;4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid

Suppliers and Price of 4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-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
Packaging
price

Matrix Scientific
4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid 95+%
1g
$ 2268.00

Crysdot
4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid 95+%
1g
$ 1865.00

ChemScene
6-Pteridinepropanoicacid,2,4-diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-
100mg
$ 580.00

ChemScene
6-Pteridinepropanoicacid,2,4-diamino-α-(4-carboxyphenyl)-α-2-propyn-1-yl-
250mg
$ 900.00

Chemenu
4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid 95%+
250mg
$ 1488.00

Chemenu
4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid 95%+
100mg
$ 893.00

American Custom Chemicals Corporation
2,4-DIAMINO-ALPHA-(4-CARBOXYPHENYL)-ALPHA-2-PROPYN-1-YL-6-PTERIDINEPROPANOIC ACID 95.00%
5MG
$ 505.42

AK Scientific
2,4-Diamino-alpha-(4-carboxyphenyl)-alpha-2-propyn-1-yl-6-pteridinepropanoicacid
1g
$ 3111.00

Total 12 raw suppliers

Chemical Property of 4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Chemical Property:

Boiling Point:718.9±70.0 °C(Predicted)
PKA:2.65±0.10(Predicted)
PSA：178.20000
Density:1.555±0.06 g/cm3(Predicted)
LogP:2.03320
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:392.12330301
Heavy Atom Count:29
Complexity:673

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

There total 6 articles about 4-(2-Carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-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: 90.1%

: 146464-91-7
methyl-4-(2-((2,4-diaminopteridin-6-yl)methyl)-1-methoxy-1-oxopent-4-yn-2-yl)benzoate

: 146464-92-8
4-(2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Guidance literature:: With sodium hydroxide; In 2-methoxy-ethanol; water; at 20 ℃;

Reference yield: 89.4%

: 1548618-47-8
10-propargyl-10-carbomethoxy-4-deoxy-4-amino-10-deazapteroic acid methyl ester hydrobromide salt

: 146464-92-8
4-(2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Guidance literature:: 10-propargyl-10-carbomethoxy-4-deoxy-4-amino-10-deazapteroic acid methyl ester hydrobromide salt; With potassium hydroxide; In water; at 20 - 25 ℃; for 4h;

With acetic acid; In water; isopropyl alcohol; at 20 - 25 ℃; for 15h; Concentration;

Reference yield:

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

: 146464-92-8
4-(2-carboxy-1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 720 mg / aq. NaOH / 2-methoxy-ethanol / 24 h / 20 °C

With sodium hydroxide; In 2-methoxy-ethanol;
DOI:10.1021/jm010518t