2-Aminotetralin-2-carboxylic acid

Base Information

• Chemical Name: 2-Aminotetralin-2-carboxylic acid
• CAS No.: 74444-77-2
• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23
• Hs Code.: 2921490090
• European Community (EC) Number: 820-269-5
• NSC Number: 182016,37016
• DSSTox Substance ID: DTXSID901347113
• Nikkaji Number: J303.814I
• ChEMBL ID: CHEMBL8708
• Mol file: 74444-77-2.mol

Synonyms:2-aminotetralin-2-carboxylic acid

Chemical Property of 2-Aminotetralin-2-carboxylic acid

Chemical Property:

• Appearance/Colour: white to beige powder or crystals
• Vapor Pressure: 3.02E-06mmHg at 25°C
• Melting Point: 303-313°C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 373.6 °C at 760 mmHg
• PKA: 2.13±0.20(Predicted)
• Flash Point: 179.8 °C
• PSA: 63.32000
• Density: 1.237 g/cm³
• LogP: 1.65770
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -1.2
• 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

D,L-2-Aminotetralin-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC2=CC=CC=C21)(C(=O)O)N

Technology Process of 2-Aminotetralin-2-carboxylic acid

There total 17 articles about 2-Aminotetralin-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: 98.0%

(S)-ethyl 2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylate (1115955-17-3) → (S)-2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (104974-44-9,74444-77-2)

Guidance literature:

(S)-ethyl 2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylate; With lithium hydroxide monohydrate; In ethanol; water; at 25 ℃; for 48h;

With hydrogenchloride; In ethanol; water; pH=2; optical yield given as %ee;

DOI:10.1021/ol802325h

Reference yield: 97.0%

7,8-benzo-1,3-diazasprio[4.5]decane-2,4-dione (52094-70-9) → 2-amino-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid (6331-63-1,104974-44-9,104974-45-0,74444-77-2)

Guidance literature:

With barium dihydroxide; In water; ethylene glycol; for 27h; Heating;

DOI:10.1002/(SICI)1099-1344(199710)39:10<817::AID-JLCR28>3.0.CO;2-B

Reference yield: 96.0%

2-amino-2-(aminocarbonyl)-1,2,3,4-tetrahydronaphthalene (144800-66-8) → 2-amino-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid (6331-63-1,104974-44-9,104974-45-0,74444-77-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm00020a021

upstream raw materials:

1,2,3,4-tetrahydronaphthalen-2-one

7,8-benzo-1,3-diazasprio[4.5]decane-2,4-dione

acide amino-2 chloro-6 tetrahydro-1,2,3,4 naphtoique-2

2-amino-2-(aminocarbonyl)-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

(R)-2-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid hydrochloride

Refernces

Structure-activity relationship of linear peptide Bu-His-DPhe-Arg-Trp-Gly-NH₂ at the human melanocortin-1 and -4 receptors: Histidine substitution

10.1016/S0960-894X(02)00830-2

The research focuses on the structure-activity relationship of a linear peptide, Bu-His-DPhe-Arg-Trp-Gly-NH2, at the human melanocortin-1 and -4 receptors, with the aim of identifying potent and selective human melanocortin-4 receptor (hMC4R) agonists for the treatment of obesity. The study involved systematic substitution of the His6 residue using a non-selective hMC4R pentapeptide agonist as a template, leading to the discovery of Bu-Atc-DPhe-Arg-Trp-Gly-NH2 and its derivatives, which showed moderate to high selectivity towards hMC4R over hMC1R. Key chemicals used in the synthesis process included Fmoc-protected amino acids, various substituted β-tetralones, and rhodium catalysts for intramolecular Buchner reactions. The research concluded that rigid non-basic histidine surrogates, such as Atc (2-aminotetraline-2-carboxylic acid), could lead to excellent hMC4R selectivity in linear peptides, with pentapeptides containing 5-BrAtc and 5-Me2NAtc being potent hMC4R agonists and inactive in hMC1R, hMC3R, and hMC5R agonist assays.

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