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

Base Information Edit

Chemical Name:4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid
CAS No.:146464-93-9
Molecular Formula:C18H16N6O2
Molecular Weight:348.364
Hs Code.:
European Community (EC) Number:695-812-0
DSSTox Substance ID:DTXSID30451485
Mol file:146464-93-9.mol

Synonyms:146464-93-9;4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid;4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoic Acid;Benzoic acid, 4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]-;10-Propargyl-4-deoxy-4-amino-10-deazapteroic acid;SCHEMBL13529660;DTXSID30451485;YDEZNQPWTMVPCH-UHFFFAOYSA-N;CS-M1919;WFA46493;MFCD09833979;AC-28749;CS-13791;4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid

Suppliers and Price of 4-(1-(2,4-Diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Supply Marketing:Edit

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

TRC
10-Propargyl-4-deoxy-4-amino-10-deazapteroicAcid
10mg
$ 1540.00

ChemScene
4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid 95.18%
100mg
$ 2250.00

Chemenu
4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoicacid 95%+
100mg
$ 3000.00

American Custom Chemicals Corporation
4-[1-[(2,4-DIAMINO-6-PTERIDINYL)METHYL]-3-BUTYN-1-YL]BENZOIC ACID 95.00%
5MG
$ 502.04

Total 22 raw suppliers

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

Chemical Property:

Boiling Point:642.1±65.0 °C(Predicted)
PKA:4.15±0.10(Predicted)
PSA：141.63000
Density:1.444
LogP:2.14330
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:348.13347377
Heavy Atom Count:26
Complexity:541

Purity/Quality:

98%min ^*data from raw suppliers

10-Propargyl-4-deoxy-4-amino-10-deazapteroicAcid ^*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
Uses 10-Propargyl-4-deoxy-4-amino-10-deazapteroic Acid is a compound that can be synthesized from Methyl 4-(Cyanomethyl)benzoate (M294750), the key intermediate of Fexofenadine (F322490).

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

There total 23 articles about 4-(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: 60.0%

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

: 146464-93-9
4-(1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl)benzoic acid

Guidance literature:: In dimethyl sulfoxide; at 120 ℃; for 0.5h;
DOI:10.1021/jm010518t

Reference yield:

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

: 146464-93-9
4-(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

2: 60 percent / dimethylsulfoxide / 0.5 h / 120 °C

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