3-Amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 3-Amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
• CAS No.: 104877-13-6
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• Hs Code.: 2922499990
• European Community (EC) Number: 856-360-1
• DSSTox Substance ID: DTXSID10548100
• Nikkaji Number: J1.724.061G
• Wikidata: Q82426703
• Mol file: 104877-13-6.mol

Synonyms:104877-13-6;3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;2-Naphthalenecarboxylicacid, 3-amino-5,6,7,8-tetrahydro-;2-Naphthalenecarboxylicacid,3-amino-5,6,7,8-tetrahydro-(9CI);SCHEMBL4016463;3-amino-5,6,7,8-tetrahydro-napthalene-2-carboxylic acid;DTXSID10548100;BVWFLRKXHQUAKM-UHFFFAOYSA-N;AKOS022643683;EN300-192791;3-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylicacid;Z1255381608

Chemical Property of 3-Amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.42700
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-5,6,7,8-tetrahydronaphthalene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=CC(=C(C=C2C1)C(=O)O)N

Technology Process of 3-Amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

There total 6 articles about 3-Amino-5,6,7,8-tetrahydronaphthalene-2-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:

2-Amino-3-naphthoic acid (5959-52-4) → 3-amino-5,6,7,8-tetrahydro-napthalene-2-carboxylic acid (104877-13-6)

Guidance literature:

nickel;

DOI:10.1016/j.bmcl.2007.07.051

Reference yield:

3-acetylamino-[2]naphthoic acid ethyl ester (856074-01-6) → 3-amino-5,6,7,8-tetrahydro-napthalene-2-carboxylic acid (104877-13-6)

Guidance literature:

With nickel; decalin; at 120 ℃; under 11400 - 22800 Torr; Hydrogenation_.nachfolgend Verseifen;

Reference yield:

→ 3-amino-5,6,7,8-tetrahydro-napthalene-2-carboxylic acid (104877-13-6)

Guidance literature:

With dihydrogen peroxide;

upstream raw materials:

3-acetylamino-[2]naphthoic acid ethyl ester

5,6,7,8-Tetrahydrobenzisatin

dihydrogen peroxide

decalin

Downstream raw materials:

tert-butyl 3-(2-benzyl-3-methyl-4-oxo-2,4,7,8,9,10-hexahydro-4H-benzo[g]pyrazolo[4,3-c]quinolin-5-yl)propylcarbamate

N-[3-(2-benzyl-3-methyl-4-oxo-2,4,7,8,9,10-hexahydro-4H-benzo[g]pyrazolo[4,3-c]quinolin-5-yl)propyl]methanesulfonamide

5-(3-azido-2-hydroxypropyl)-2-benzyl-3-methyl-2,5,7,8,9,10-hexahydro-4H-benzo[g]pyrazolo[4,3-c]quinolin-4-one

2-benzyl-3-methyl-5-(oxiran-2-ylmethyl)-2,5,7,8,9,10-hexahydro-4H-benzo[g]pyrazolo[4,3-c]qumolin-4-one

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