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

Base Information

• Chemical Name: 7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
• CAS No.: 873924-12-0
• Molecular Formula: C14H23NO4
• Molecular Weight: 269.341
• Hs Code.: 2933990090
• European Community (EC) Number: 838-827-1
• DSSTox Substance ID: DTXSID40705461
• Wikidata: Q82638334
• Mol file: 873924-12-0.mol

Synonyms:873924-12-0;7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid;7-BOC-7-AZASPIRO[3.5]NONANE-2-CARBOXYLIC ACID;7-[(tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid;7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid;MFCD12198556;7-(tert-Butoxycarbonyl)-7-azaspiro-[3.5]nonane-2-carboxylic acid;SCHEMBL2340756;DTXSID40705461;ASNXCLBPISBIFU-UHFFFAOYSA-N;7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylicacid;BCP20635;EX-A2950;YJB92412;AKOS015950416;PB13523;AC-30842;AS-35915;SY059064;AM20070626;FT-0686027;EN300-153400;A846504;J-519044;Z1505700633;7-Aza-spiro[3.5]nonane-2,7-dicarboxylic acid 7-tert-butyl ester;7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid 95+%;7-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl)ester

Chemical Property of 7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

Chemical Property:

• Boiling Point: 406.6±45.0 °C(Predicted)
• PKA: 4.69±0.20(Predicted)
• PSA: 66.84000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 2.43620
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 269.16270821
• Heavy Atom Count: 19
• Complexity: 369

Purity/Quality:

97% ^*data from raw suppliers

7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(=O)O
• Uses: 7-(tert-Butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic Acid is used as a reagent in the preparation of mineralocorticoid receptor agonists.

Technology Process of 7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

There total 1 articles about 7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-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: 99.0%

2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester (203662-66-2) → 7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid (873924-12-0)

Guidance literature:

2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester; With water; lithium hydroxide; In ethanol; for 4h; Reflux;

With hydrogenchloride; In water; pH=1 - 2;

Reference yield: 92.0%

7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid (873924-12-0) + (S)-tert-butyl 4-(5-(4-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoate (1598386-65-2) → (S)-tert-butyl 2-(1-((4-(tert-butoxycarbonyl)phenyl)carbamoyl)-5-(4-methoxypiperidin-1-yl)-1,2,3 ,4-tetrahydroisoquinoline-2-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylate (1598386-66-3)

Guidance literature:

With pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 0 - 20 ℃;

Reference yield:

3,4-dihydroisoquinoline (3230-65-7) + 7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid (873924-12-0) + tert-butyl 4-isocyanobenzoate (1224444-35-2) → tert-butyl 2-(1-((4-(tert-butoxycarbonyl)phenyl)carbamoyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylate (1598386-53-8)

Guidance literature:

3,4-dihydroisoquinoline; 7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid; In methanol; for 0.166667h;

tert-butyl 4-isocyanobenzoate; In methanol; at 50 ℃; for 24h;

upstream raw materials:

2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester

Downstream raw materials:

tert-butyl 2-(1-((4-(tert-butoxycarbonyl)phenyl)carbamoyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylate

(S)-tert-butyl 2-(1-((4-(tert-butoxycarbonyl)phenyl)carbamoyl)-5-(4-methoxypiperidin-1-yl)-1,2,3 ,4-tetrahydroisoquinoline-2-carbonyl)-7-azaspiro[3.5]nonane-7-carboxylate