1-(Boc-amino)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(Boc-amino)cyclohexanecarboxylic acid
• CAS No.: 115951-16-1
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Hs Code.: 29225090
• European Community (EC) Number: 806-728-2
• DSSTox Substance ID: DTXSID50383370
• Nikkaji Number: J1.294.294J
• Wikidata: Q72447997
• Mol file: 115951-16-1.mol

Synonyms:115951-16-1;1-(Boc-amino)cyclohexanecarboxylic acid;1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid;1-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid;Boc-1-aminocyclohexane-1-carboxylic acid;MFCD00273427;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid;1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-;1-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid;1-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid;1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid;Boc-homocycloleucine;1-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylic acid;boc-1-aminocyclohexane carboxylic acid;1-(Boc-amino)cyclohexanecarboxylicAcid;BOC-NH(1)CHEX-OH;SCHEMBL496169;DTXSID50383370;URBHKVWOYIMKNO-UHFFFAOYSA-N;STL096166;AKOS000180668;AB05840;BS-4532;1-(Boc-amino)-cyclohexanecarboxylic acid;N-Boc-1-amino-cyclohexanecarboxylic acid;1-BOC-aminocycloHEXANECARBOXYLIC ACID;SY002605;1-(Boc-amino)cyclohexane-1-carboxylic acid;BB 0323379;CS-0037465;FT-0649911;EN300-30939;1-t-Butoxycarbonylaminocyclohexanecarboxylic acid;1(t-butoxycarbonylamino)cyclohexanecarboxylic acid;1-(t-Butoxycarbonylamino)cyclohexanecarboxylic acid;J-503503;1-(tert-butoxycarbonylamino) cyclohexane carboxylic acid;1-(Tert-butoxycarbonylamino) cyclohexanecarboxylic acid;F1905-7618;Z299633156;1-(Boc-amino)cyclohexanecarboxylic acid, >=98.0% (TLC);1-[(tert-Butoxycarbonyl)amino]-1-cyclohexanecarboxylic acid

Chemical Property of 1-(Boc-amino)cyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 3.3E-07mmHg at 25°C
• Melting Point: 176-178 °C (dec.)
• Refractive Index: 1.496
• Boiling Point: 391.152 °C at 760 mmHg
• Flash Point: 190.362 °C
• PSA: 75.63000
• Density: 1.134 g/cm³
• LogP: 2.68950
• Storage Temp.: Store at 0°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

Boc-1-aminocyclohexane 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)NC1(CCCCC1)C(=O)O

Technology Process of 1-(Boc-amino)cyclohexanecarboxylic acid

There total 12 articles about 1-(Boc-amino)cyclohexanecarboxylic 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: 92.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-aminocyclohexane carboxylic acid (2756-85-6) → 1-tert-butoxycarbonylaminocyclohexanecarboxylic acid (115951-16-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 16h; Cooling with ice;

DOI:10.1016/j.bmcl.2020.127039

Reference yield: 86.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-amino-1-cyclohexane carboxylic acid hydrochloride (39692-17-6) → 1-tert-butoxycarbonylaminocyclohexanecarboxylic acid (115951-16-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 18h;

DOI:10.1021/jm0303857

Reference yield: 61.0%

t-butyl (1-vinylcyclohexyl)carbamate → 1-tert-butoxycarbonylaminocyclohexanecarboxylic acid (115951-16-1)

Guidance literature:

t-butyl (1-vinylcyclohexyl)carbamate; With ozone; In dichloromethane; at -78 ℃;

With sodium chlorite; sodium dihydrogen phosphate monohydrate; 2-methyl-but-2-ene; In water; tert-butyl alcohol;

DOI:10.1021/acs.joc.5b02628

upstream raw materials:

di-tert-butyl dicarbonate

1-aminocyclohexane carboxylic acid

1-amino-1-cyclohexane carboxylic acid hydrochloride

spiro(imidazolidine-4,1'-cyclohexane)-2,5-dione

Downstream raw materials:

{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexyl}-carbamic acid tert-butyl ester

C₂₄H₃₀N₂O₃

C₁₉H₂₈N₂O₃

methyl 1-((t-butoxycarbonyl)amino)cyclohexane-1-carboxylate

Refernces

• 1、 Dangi, Abha,Marelli, Udaya Kiran,Meena, Chhuttan L.,Reichart, Florian,Sanjayan, Gangadhar J.,Singh, Dharmendra,Zahler, Stefan,Weinmüller, Michael. "Novel cilengitide-based cyclic RGD peptides as αvβ3 integrin inhibitors". supporting information. . Retrieved 2020/02/28.
• 2、 -. "Cathepsin K inhibitor and application thereof". Paragraph 0168; 0169. . Retrieved 2017/08/30.