Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

Base Information

• Chemical Name: Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
• CAS No.: 203662-66-2
• Molecular Formula: C14H22N2O2
• Molecular Weight: 250.341
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00457671
• Wikidata: Q72502745
• ChEMBL ID: CHEMBL4990510
• Mol file: 203662-66-2.mol

Synonyms:203662-66-2;Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate;2-CYANO-7-AZASPIRO[3.5]NONANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER;MFCD12198800;2-Cyano-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester;7-Boc-7-azaspiro[3.5]nonane-2-carbonitrile;SCHEMBL2364101;CHEMBL4990510;DTXSID00457671;RHQBJRGRDIJKGP-UHFFFAOYSA-N;AKOS015904662;BE-0046;PB24018;SY065560;AM20070605;CS-0036790;FT-0685982;A846505;W-206508;tert-butyl2-cyano-7-azaspiro[3.5]nonane-7-carboxylate;2-Cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester 95+%;7-Azaspiro[3.5]nonane-7-carboxylic acid, 2-cyano-, 1,1-dimethylethyl ester;tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate;7-Boc-2-cyano-7-azaspiro[3.5]nonane

Chemical Property of Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

Chemical Property:

• Melting Point: 65-66.5℃
• Boiling Point: 381.0±42.0 °C(Predicted)
• PKA: -1.39±0.40(Predicted)
• PSA: 53.33000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 2.87518
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.168127949
• Heavy Atom Count: 18
• Complexity: 372

Purity/Quality:

97% ^*data from raw suppliers

2-Cyano-7-azaspiro[3.5]nonane-7-carboxylicacidtert-butylester 97.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C#N

Technology Process of Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate

There total 7 articles about Tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate 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: 66.0%

sodium cyanide (773837-37-9) + 2-((methylsulfonyl)oxy)-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (614729-59-8) → 2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (203662-66-2)

Guidance literature:

sodium cyanide; 2-((methylsulfonyl)oxy)-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester; With potassium iodide; In N,N-dimethyl-formamide; at 120 ℃; for 72h;

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

Reference yield: 33.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (203661-69-2) → 2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (203662-66-2)

Guidance literature:

With potassium tert-butylate; In 1,2-dimethoxyethane; tert-butyl alcohol; at 20 ℃; for 12h;

DOI:10.1248/cpb.52.675

Reference yield:

tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate (203661-69-2) → 2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (203662-66-2)

Guidance literature:

upstream raw materials:

[(p-methylphenyl)sulfonylmethyl]isonitrile

tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 4-methylidenepiperidine-1-carboxylate

tert-butyl 1,1-dichloro-2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

Downstream raw materials:

7-azaspiro[3.5]nonane-2-carbonitrile

2-aminomethyl-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester

7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

methyl (7-benzyl-7-azaspiro[3.5]non-2-yl)carboxylate