1-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
• CAS No.: 123811-87-0
• Molecular Formula: C15H19NO4
• Molecular Weight: 277.32
• Hs Code.: 2933499090
• European Community (EC) Number: 674-831-8
• DSSTox Substance ID: DTXSID10600333
• Mol file: 123811-87-0.mol

Synonyms:123811-87-0;1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid;1-boc-3,4-dihydro-2h-quinoline-2-carboxylic acid;1-boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid;MFCD04115277;MFCD04115276;MFCD04115278;1-(TERT-BUTOXYCARBONYL)-3,4-DIHYDRO-2H-QUINOLINE-2-CARBOXYLIC ACID;SCHEMBL1050563;DTXSID10600333;NGYOAZMYTIAOTI-UHFFFAOYSA-N;1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylicacid;1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;AKOS015841426;AB19850;AB19851;SB32102;AS-38485;SY238819;SY238907;SY238923;DB-012678;DB-012681;DB-012683;CS-0005420;A13042;EN300-363075;A805156;Q-102319;1-(Boc)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;(R)-1-Boc-1,2,3,4-tetrahydroquinoline-2-carboxylic Acid;(S)-1-Boc-1,2,3,4-tetrahydroquinoline-2-carboxylic Acid;3,4-dihydro-2h-quinoline-1,2-dicarboxylic acid 1-tert-butyl ester

Chemical Property of 1-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.09E-08mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 428.759 °C at 760 mmHg
• Flash Point: 213.106 °C
• PSA: 66.84000
• Density: 1.223 g/cm³
• LogP: 2.89250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.13140809
• Heavy Atom Count: 20
• Complexity: 388

Purity/Quality:

97% ^*data from raw suppliers

1-Boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C(CCC2=CC=CC=C21)C(=O)O

Technology Process of 1-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

There total 4 articles about 1-(Tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-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: 29.0%

1,2,3,4-tetrahydroquinoline-2-carboxylic acid (46185-24-4) → 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (123811-87-0)

Guidance literature:

With triethylamine; In water;

Reference yield:

1,2,3,4-tetrahydroquinoline-2-carboxylic acid (46185-24-4) + di-tert-butyl dicarbonate (24424-99-5) → 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (123811-87-0)

Guidance literature:

With sodium hydroxide; In tert-butyl alcohol; for 24h; Ambient temperature; pH at 9.5;

DOI:10.1021/jo00289a058

Reference yield:

quinoline-2-carboxylic acid hydrochloride (89047-45-0) → 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (123811-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / hydrogen / platinum oxide / acetic acid / 2 h / 60 °C / 3102.9 Torr

2: 2 N NaOH / 2-methyl-propan-2-ol / 24 h / Ambient temperature; pH at 9.5

With sodium hydroxide; hydrogen; platinum(IV) oxide; In acetic acid; tert-butyl alcohol;

DOI:10.1021/jo00289a058

upstream raw materials:

1,2,3,4-tetrahydroquinoline-2-carboxylic acid

di-tert-butyl dicarbonate

quinoline-2-carboxylic acid hydrochloride

quinoline-2-carboxylic acid

Downstream raw materials:

3,4-Dihydro-2H-quinoline-1,2-dicarboxylic acid 1-tert-butyl ester; compound with dicyclohexyl-amine

benzyl 2-((2-amino-3-carbamoylphenyl)carbamoyl)-3,4-dihydroquinoline-1(2H)-carboxylate

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