Benzoic acid, 4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl)-

Base Information

Chemical Name:Benzoic acid, 4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl)-
CAS No.:187400-18-6
Molecular Formula:C₂₃H₂₅N₃O₂
Molecular Weight:375.47
Hs Code.:
UNII:6G5214L6K9
Nikkaji Number:J1.270.607C
Wikidata:Q27264848
Pharos Ligand ID:CQYU7BG7NRA3
ChEMBL ID:CHEMBL133725

Synonyms:4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-2-pyrrolyl)benzoic acid;ER 34617;ER-34617

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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 Benzoic acid, 4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl)-

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:375.19467705
Heavy Atom Count:28
Complexity:582

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCC(C2=NC(=CN=C21)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)(C)C)C

Technology Process of Benzoic acid, 4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl)-

There total 12 articles about Benzoic acid, 4-(5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-pyrrol-2-yl)- 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%

: 261162-87-2
methyl 4-[5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-quinoxalinyl)-1H-2-pyrrolyl]benzoate

: 187400-18-6
ER-34617

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃; for 6h;
DOI:10.1021/jm990063w

Reference yield:

: 4916-85-2
2,2,5,5-tetramethylhexanedioic acid

: 187400-18-6
ER-34617

Guidance literature:: Multi-step reaction with 9 steps

1.1: 99 percent / H₂SO₄ / 16 h / Heating

2.1: 85 percent / Na / xylene / 2 h / 100 °C

3.1: 70 percent / aq. CrO₃; AcOH / 3 h / 15 °C

4.1: NaOH / methanol / 48 h / Heating

4.2: 72 percent / H₂SO₄ / 6 h / Heating

5.1: 60 percent / DIBAL-H / CH₂Cl₂; toluene / 1 h / -78 °C

6.1: 89 percent / oxalyl chloride; dimethyl sulfoxide / CH₂Cl₂ / 0.25 h / -60 °C

7.1: 75 percent / Et₃N; 3-benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride / dimethylformamide / 0.5 h / 100 °C

8.1: 72 percent / ammonium acetate / methanol / 8 h / Heating

9.1: 93 percent / 5 N aq. NaOH / ethanol / 6 h / 20 °C

With chromium(VI) oxide; ammonium acetate; sodium hydroxide; oxalyl dichloride; sulfuric acid; sodium; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; diisobutylaluminium hydride; acetic acid; dimethyl sulfoxide; triethylamine; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene; xylene; 1.1: Esterification / 2.1: Cyclization / 3.1: Oxidation / 4.1: Condensation / 4.2: Cyclization / 5.1: Reduction / 6.1: Swern oxidation / 7.1: Addition / 8.1: cyclocondensation / 9.1: Hydrolysis;
DOI:10.1021/jm990063w

Reference yield:

: 5238-36-8
1,6-diethyl 2,2,5,5-tetramethylhexanedioate

: 187400-18-6
ER-34617

Guidance literature:: Multi-step reaction with 8 steps

1.1: 85 percent / Na / xylene / 2 h / 100 °C

2.1: 70 percent / aq. CrO₃; AcOH / 3 h / 15 °C

3.1: NaOH / methanol / 48 h / Heating

3.2: 72 percent / H₂SO₄ / 6 h / Heating

4.1: 60 percent / DIBAL-H / CH₂Cl₂; toluene / 1 h / -78 °C

5.1: 89 percent / oxalyl chloride; dimethyl sulfoxide / CH₂Cl₂ / 0.25 h / -60 °C

6.1: 75 percent / Et₃N; 3-benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride / dimethylformamide / 0.5 h / 100 °C

7.1: 72 percent / ammonium acetate / methanol / 8 h / Heating

8.1: 93 percent / 5 N aq. NaOH / ethanol / 6 h / 20 °C

With chromium(VI) oxide; ammonium acetate; sodium hydroxide; oxalyl dichloride; sodium; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; diisobutylaluminium hydride; acetic acid; dimethyl sulfoxide; triethylamine; In methanol; ethanol; dichloromethane; N,N-dimethyl-formamide; toluene; xylene; 1.1: Cyclization / 2.1: Oxidation / 3.1: Condensation / 3.2: Cyclization / 4.1: Reduction / 5.1: Swern oxidation / 6.1: Addition / 7.1: cyclocondensation / 8.1: Hydrolysis;
DOI:10.1021/jm990063w