1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide

Base Information

• Chemical Name: 1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide
• CAS No.: 5779-29-3
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.236
• DSSTox Substance ID: DTXSID90973370
• Wikidata: Q82957264
• Mol file: 5779-29-3.mol

Synonyms:5779-29-3;Oprea1_336595;DTXSID90973370;STK769647;AKOS001744087;SR-01000117997;SR-01000117997-1;1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide;1-[2-(5-AMINO-1H-1,2,3,4-TETRAZOL-1-YL)ACETAMIDO]-N-(4-METHOXYPHENYL)CYCLOHEXANE-1-CARBOXAMIDE;2-(5-Imino-2,5-dihydro-1H-tetrazol-1-yl)-N-{1-[(4-methoxyphenyl)carbamoyl]cyclohexyl}ethanimidic acid

Chemical Property of 1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide

Chemical Property:

• Density: 1.45g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 373.18623762
• Heavy Atom Count: 27
• Complexity: 519

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)NC(=O)CN3C(=NN=N3)N

Technology Process of 1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide

There total 67 articles about 1-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide 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: 100.0%

cis-2-decalone (1579-21-1) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

((C₄H₉)4)4W₁₀O₃₂; In acetonitrile; at 25 ℃; Irradiation;

DOI:10.1016/S0040-4020(01)86244-X

Reference yield: 95.0%

(2R*,4aRS*,8aRS)-decahydro-2-naphthol (825-51-4,1424-36-8,1424-37-9,2529-06-8,5746-67-8,5746-69-0,5779-35-1,36667-73-9,52079-66-0,54324-61-7,84276-31-3,84276-32-4,88644-15-9,91684-34-3,91684-35-4,91684-37-6) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

With potassium dichromate; sulfuric acid; In diethyl ether; for 6h;

Reference yield: 66.0%

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one (1196-55-0) → trans-decalin-2-one (4832-17-1,5779-29-3,5779-30-6,16021-08-2,52079-67-1,91684-29-6,91684-30-9,1579-21-1,143392-76-1)

Guidance literature:

4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one; With ammonia; lithium; tert-butyl alcohol; In tetrahydrofuran; at -70 ℃; for 0.25h;

With Jones reagent; In acetone; at 0 ℃; for 0.25h;

DOI:10.1039/c0cc00653j

upstream raw materials:

5,6,7,8-Tetrahydro-2-naphthol

tetralin

(4ar,8ac)-decahydro-naphthalen-2ξ-ol

(+/-)-trans,trans-decahydro-2-naphthol

Downstream raw materials:

(+/-)-6-phenyl-(4ar,8at)-1,2,3,4,4a,5,8,8a-octahydro-naphthalene

cis-decalin

(2R*,4aS*,8aR*)-decahydro-2-naphthol

(2R*,4aS*,8aR*)-decahydro-2-naphthol

Refernces

• 1、 Barnes, Quentin,Biremond, Tony,Quintaine, Julie,Saudan, Lionel,Sombret, Juliette,de Saint-Laumer, Jean-Yves. "High trans-2-Decalones by Photoredox Catalyzed β-Isomerization". . . Retrieved 2021/12/03.
• 2、 -. "ISOMERISATION REACTION". Paragraph 16. . Retrieved 2020/10/09.