1-Amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Base Information

• Chemical Name: 1-Amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
• CAS No.: 30265-11-3
• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23
• NSC Number: 39062
• DSSTox Substance ID: DTXSID10284798
• Nikkaji Number: J1.543.148B
• Mol file: 30265-11-3.mol

Synonyms:30265-11-3;1-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;1-Amino-1,2,3,4-tetrahydro-1-naphthoic acid;6336-38-5;1-amino-3,4-dihydro-2H-naphthalene-1-carboxylic acid;MFCD01712308;CB 1643;SCHEMBL60004;NIOSH/QL2303000;DTXSID10284798;NSC39062;NSC-39062;AKOS000176436;AKOS016051410;AB09825;BS-12185;LS-95391;SY039060;CS-0208316;QL23030000;1,2,3,4-Tetrahydro-1-amino-1-naphthoic acid;1-Amino-2:3-benzcyclohexane-1-carboxylic acid;A50392;ETHYL2-CYANO-3-(4-METHYLPHENYL)ACRYLATE;1-Naphthoic acid, 1,2,3,4-tetrahydro-1-amino-;1-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylicacid

Chemical Property of 1-Amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.28E-06mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 366.1°Cat760mmHg
• Flash Point: 175.2°C
• PSA: 63.32000
• Density: 1.237g/cm³
• LogP: 1.96180
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

1-Amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(C1)(C(=O)O)N

Technology Process of 1-Amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

There total 4 articles about 1-Amino-1,2,3,4-tetrahydronaphthalene-1-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: 95.0%

NSC 187220 (57998-96-6) → 1-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (30265-11-3,197379-82-1,197381-49-0,6336-38-5)

Guidance literature:

With barium dihydroxide; In water; at 125 ℃; for 24h;

DOI:10.1002/hlca.19920750522

Reference yield:

barium hydroxide octahydrate + NSC 187220 (57998-96-6) → 1-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (30265-11-3,197379-82-1,197381-49-0,6336-38-5)

Guidance literature:

In water;

Reference yield:

3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 1-amino-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (30265-11-3,197379-82-1,197381-49-0,6336-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / (NH₄)2CO₃ / aq. ethanol / 24 h / 55 - 75 °C

With ammonium carbonate; In ethanol;

DOI:10.1021/jm00396a037

upstream raw materials:

NSC 187220

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

1-benzamido-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

N²<(S)-1-benzamido-1,2,3,4-tetrahydronaphthalene-1-carbonyl>-L-phenylalanine N¹,N¹-(tetramethylene)amide

N²<(R)-1-benzamido-1,2,3,4-tetrahydronaphthalene-1-carbonyl>-L-phenylalanine N¹,N¹-(tetramethylene)amide

(R)-methyl 1-benzamido-1,2,3,4-tetrahydronaphthalene-1-carboxylate

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