(1-Tert-butoxycarbonylamino-cyclohexyl)-acetic acid

Base Information

• Chemical Name: (1-Tert-butoxycarbonylamino-cyclohexyl)-acetic acid
• CAS No.: 187610-56-6
• Molecular Formula: C13H23 N O4
• Molecular Weight: 257.33
• Hs Code.: 29242990
• DSSTox Substance ID: DTXSID10589215
• Wikidata: Q82482450
• Mol file: 187610-56-6.mol

Synonyms:187610-56-6;(1-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXYL)-ACETIC ACID;2-(1-((tert-Butoxycarbonyl)amino)cyclohexyl)acetic acid;(1-Boc-aminocyclohexyl)acetic acid;Boc-1-amino-cyclohexane acetic acid;2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid;(1-(tert-Butoxycarbonylamino)cyclohexyl)-acetic acid;{1-[(tert-butoxycarbonyl)amino]cyclohexyl}acetic acid;2-(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)acetic acid;N-Boc-2-(1-aminocyclohexyl) acetic acid;2-(1-(tert-butoxycarbonylamino)cyclohexyl)acetic acid;SCHEMBL1162996;2-(1-((tert-Butoxycarbonyl)amino)cyclohexyl)aceticacid;DTXSID10589215;MFCD02258133;AKOS013602944;AB85877;TS-7096;DA-08870;CS-0213399;EN300-83347;A50500;N-Boc-2-(1-aminocyclohexyl)acetic acid, >=97%;(1-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXYL)-ACETICACID;Cyclohexaneacetic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-

Chemical Property of (1-Tert-butoxycarbonylamino-cyclohexyl)-acetic acid

Chemical Property:

• Boiling Point: 409.6±14.0 °C(Predicted)
• PKA: 4.72±0.10(Predicted)
• PSA: 75.63000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 3.07960
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.16270821
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

Boc-1-amino-cyclohexane acetic 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)CC(=O)O

Technology Process of (1-Tert-butoxycarbonylamino-cyclohexyl)-acetic acid

There total 2 articles about (1-Tert-butoxycarbonylamino-cyclohexyl)-acetic 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:

di-tert-butyl dicarbonate (24424-99-5) + H-Gpn-OH (60142-96-3) → 2-(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)acetic acid (187610-56-6)

Guidance literature:

di-tert-butyl dicarbonate; H-Gpn-OH; With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 18h;

With hydrogenchloride; In tetrahydrofuran; water; pH=4;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + cis-amino-cyclohexaneacetic acid (37631-92-8) → 2-(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)acetic acid (187610-56-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 4h;

Reference yield: 65.0%

Togni's reagent (887144-97-0) + 2-(1-{[(tert-butoxy)carbonyl]amino}cyclohexyl)acetic acid (187610-56-6) → tert-butyl (1-(2,2,2-trifluoroethyl)cyclohexyl)carbamate

Guidance literature:

With 3,4,7,8-Tetramethyl-o-phenanthrolin; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; water; copper dichloride; In ethyl acetate; at 20 ℃; for 12h; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/jacs.8b02650

upstream raw materials:

di-tert-butyl dicarbonate

H-Gpn-OH

cis-amino-cyclohexaneacetic acid

Downstream raw materials:

C₂₇H₃₃F₃N₂O₅S