1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid

Base Information

• Chemical Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid
• CAS No.: 199330-75-1
• Molecular Formula: C14H25 N O4
• Molecular Weight: 271.357
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID60363688
• Wikidata: Q82147436
• Mol file: 199330-75-1.mol

Synonyms:199330-75-1;1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid;BOC-1-AMINO-1-CYCLOOCTANECARBOXYLIC ACID;1-{[(tert-butoxy)carbonyl]amino}cyclooctane-1-carboxylic acid;1-((tert-Butoxycarbonyl)amino)cyclooctanecarboxylic acid;Cyclooctanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-;SCHEMBL550992;DTXSID60363688;MFCD03426131;AKOS013465303;CS-0273172;BOC-1-AMINO-1-CYCLOOCTANECARBOXYLICACID;EN300-319253;1-((Tert-butoxycarbonyl)amino)cyclooctane-1-carboxylic acid;1-Aminocyclooctanecarboxylic acid, N-BOC protected (Boc-Ac8c-OH);Cyclooctanecarboxylicacid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-

Chemical Property of 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid

Chemical Property:

• PSA: 79.12000
• LogP: 3.28320
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.17835828
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Boc-1-Amino-1-cyclooctanecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCCCCCC1)C(=O)O

Technology Process of 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-1-carboxylic Acid

There total 4 articles about 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctane-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: 41.0%

1-aminocyclooctanecarboxylic acid hydrochloride (92398-51-1) + di-tert-butyl dicarbonate (24424-99-5) → 1-(tert-butoxycarbonylamino)cyclooctanecarboxylic acid (199330-75-1)

Guidance literature:

1-aminocyclooctanecarboxylic acid hydrochloride; di-tert-butyl dicarbonate; With sodium hydroxide; In 1,4-dioxane; water; at 25 ℃; for 18h;

With hydrogenchloride; In 1,4-dioxane; water;

Reference yield:

cycloactanone (502-49-8) → 1-(tert-butoxycarbonylamino)cyclooctanecarboxylic acid (199330-75-1)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium carbonate / aq. ethanol / 55 - 60 °C

2: aq. NaOH / 72 h / Heating

3: aq. NaOH / dioxane / 12 h / Ambient temperature

With ammonium carbonate; sodium hydroxide; In 1,4-dioxane; ethanol;

DOI:10.1021/ja962905b

Reference yield:

1,3-diazaspiro[4.7]dodecane-2,4-dione (710-94-1) → 1-(tert-butoxycarbonylamino)cyclooctanecarboxylic acid (199330-75-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / 72 h / Heating

2: aq. NaOH / dioxane / 12 h / Ambient temperature

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1021/ja962905b

upstream raw materials:

di-tert-butyl dicarbonate

1-aminocyclooctane-1-carboxylic acid

cycloactanone

1,3-diazaspiro[4.7]dodecane-2,4-dione

Downstream raw materials:

benzyl 1-(tert-butoxycarbonylamino)cyclooctanecarboxylate

Refernces

• 1、 -. "HETEROCYCLIC-SUBSTITUTED PIPERDINE COMPOUNDS AND THE USES THEREOF". Page/Page column 262-263. . Retrieved 2008/12/07.