4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid

Base Information

Chemical Name:4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid
CAS No.:141872-46-0
Molecular Formula:C23H23 N7 O2
Molecular Weight:429.47
Hs Code.:
DSSTox Substance ID:DTXSID70161839
Nikkaji Number:J509.641C
Wikidata:Q83030291
ChEMBL ID:CHEMBL333534
Mol file:141872-46-0.mol

Synonyms:4-(N-n-butyl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)pyrimidine-5-carboxylic acid;A 81282;A-81282;Abbott 81282;Abbott-81282

Suppliers and Price of 4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic 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

AHH
4-[Butyl([2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5pyrimidinecarboxylicacid 98%
1000g
$ 335.00

Total 2 raw suppliers

Chemical Property of 4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid

Chemical Property:

Boiling Point:707.3°Cat760mmHg
PKA:1.04±0.36(Predicted)
Flash Point:381.6°C
PSA：120.78000
Density:1.32g/cm³
LogP:3.82860
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:429.19132300
Heavy Atom Count:32
Complexity:587

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-[Butyl([2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5pyrimidinecarboxylicacid 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=NC=C4C(=O)O

Technology Process of 4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic acid

There total 5 articles about 4-[Butyl([2'-(1h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)amino]-5-pyrimidinecarboxylic 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: 93.0%

: 141872-46-0
4-{N-Butyl-N-[(2'-[1H-tetrazol-5-yl]biphenyl-4-yl)methyl]amino}pyrimidine-5-carboxylic acid

Guidance literature:

Reference yield:

: 141871-67-2
4-{Butyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid ethyl ester

: 141872-46-0
4-{Butyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid

Guidance literature:: With lithium hydroxide; In ethanol; water; for 2.5h; Heating;
DOI:10.1021/jm00098a018

Reference yield:

: 133051-88-4
N-(triphenylmethyl)-5-<4'-(bromomethyl)biphenyl-2-yl>tetrazole

: 141872-46-0
4-{Butyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-pyrimidine-5-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: tetrahydrofuran / 2 h / Ambient temperature

2: Et₃N / tetrahydrofuran / 2 h

3: 88percent aq. HCOOH / CH₂Cl₂ / 2 h / Ambient temperature

4: aq. NaOH / ethanol / 24 h / Ambient temperature

With sodium hydroxide; formic acid; triethylamine; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm00070a012