1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Base Information

Chemical Name:1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CAS No.:136676-90-9
Molecular Formula:C₂₉H₂₈N₄O₃
Molecular Weight:480.566
Hs Code.:
DSSTox Substance ID:DTXSID501018019
Nikkaji Number:J449.506C
Pharos Ligand ID:42LSG238MZHB
ChEMBL ID:CHEMBL292277

Synonyms:CHEMBL292277;EXP655;SCHEMBL9132716;DTXSID501018019;BDBM50010361;SDCCGSBI-0633692.P001;NCGC00162092-01;NCGC00162092-02;NCGC00162092-04;PD070311;(6S)-1-(4-Amino-3-methylbenzyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid;(6S)-1-[4-Amino-3-methylbenzyl]-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6alpha-carboxylic acid;(S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid;1-(4-amino-2-methylbenzyl)-5-diphenylcarbamoyl-(6S)-4,5,6,7-tetrahydro-1H-imidazo[5,4-c]pyridine-6-carboxylic acid;1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid;136676-90-9

Suppliers and Price of 1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

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

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Chemical Property of 1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:480.21614077
Heavy Atom Count:36
Complexity:748

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)CN2C=NC3=C2CC(N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N
Isomeric SMILES:CC1=C(C=CC(=C1)CN2C=NC3=C2C[C@H](N(C3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)N

Technology Process of 1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

There total 8 articles about 1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic 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: 72.0%

: 136677-04-8
(S)-1-<(4-amino-3-methylphenyl)-methyl>-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine-6-carboxylic acid, methyl ester

: 136676-90-9
(+)-PD 123177

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; methanol; for 2h; Ambient temperature;
DOI:10.1021/jm00115a014

Reference yield:

: 80866-75-7
3-methyl-4-nitrobenzyl alcohol

: 136676-90-9
(+)-PD 123177

Guidance literature:: Multi-step reaction with 8 steps

1: (iPr)2NEt / CH₂Cl₂ / 0.5 h / -75 °C

2: 1.) CH₂Cl₂, from -75 deg C to RT, 8 h, 2.) CH₂Cl₂, pH 7, 1.5 h

3: 100 percent / 6 N HCl / methanol / 1.5 h / Heating

4: 83 percent / H₂O / 1.) RT, 30 min, 2.) reflux, 90 min

5: 83.3 percent / HCl(g) / methanol / 24 h / Heating

6: 79 percent / dicyclohexylcarbodiimide (DCC), hydroxybenztriazole (HOBT*H₂O) / acetonitrile / 48 h / Ambient temperature

7: 100 percent / H₂ / Raney nickel / tetrahydrofuran; methanol / 6 h / 2585.7 Torr / Ambient temperature

8: 72 percent / 1 N NaOH / tetrahydrofuran; methanol / 2 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; nickel; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;
DOI:10.1021/jm00115a014

Reference yield:

: Trifluoro-methanesulfonic acid 3-methyl-4-nitro-benzyl ester

: 136676-90-9
(+)-PD 123177

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) CH₂Cl₂, from -75 deg C to RT, 8 h, 2.) CH₂Cl₂, pH 7, 1.5 h

2: 100 percent / 6 N HCl / methanol / 1.5 h / Heating

3: 83 percent / H₂O / 1.) RT, 30 min, 2.) reflux, 90 min

4: 83.3 percent / HCl(g) / methanol / 24 h / Heating

5: 79 percent / dicyclohexylcarbodiimide (DCC), hydroxybenztriazole (HOBT*H₂O) / acetonitrile / 48 h / Ambient temperature

6: 100 percent / H₂ / Raney nickel / tetrahydrofuran; methanol / 6 h / 2585.7 Torr / Ambient temperature

7: 72 percent / 1 N NaOH / tetrahydrofuran; methanol / 2 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; hydrogen; benzotriazol-1-ol; dicyclohexyl-carbodiimide; nickel; In tetrahydrofuran; methanol; water; acetonitrile;
DOI:10.1021/jm00115a014