1-(Tert-butoxycarbonyl)azepane-2-carboxylic acid

Base Information

• Chemical Name: 1-(Tert-butoxycarbonyl)azepane-2-carboxylic acid
• CAS No.: 1034708-26-3
• Molecular Formula: C₁₂H₂₁NO₄
• Molecular Weight: 243.303
• Hs Code.: 2933990090
• European Community (EC) Number: 851-789-0
• DSSTox Substance ID: DTXSID40391121
• Mol file: 1034708-26-3.mol

Synonyms:1034708-26-3;1-(tert-butoxycarbonyl)azepane-2-carboxylic acid;1-Boc-azepane-2-carboxylic acid;Azepane-1,2-dicarboxylic acid 1-tert-butyl ester;1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic Acid;1-[(tert-butoxy)carbonyl]azepane-2-carboxylic acid;1-(tert-Butoxycarbonyl)azepane-2-carboxylicacid;SCHEMBL222955;1-Boc-azepane-2-carboxylicacid;DTXSID40391121;BKMVFOKQLCHCPK-UHFFFAOYSA-N;1-(Boc)azepane-2-carboxylic acid;1-(Boc)-azepane-2-carboxylic acid;MFCD03790979;AKOS005264193;SB30303;AS-36871;CS-0076540;FT-0689961;EN300-82399;F8887-2931;Z1238485111;perhydro-azepine-1,2-dicarboxylic acid 1-tert-butyl ester

Chemical Property of 1-(Tert-butoxycarbonyl)azepane-2-carboxylic acid

Chemical Property:

• PSA: 66.84000
• LogP: 2.18860
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCCCC1C(=O)O

Technology Process of 1-(Tert-butoxycarbonyl)azepane-2-carboxylic acid

There total 39 articles about 1-(Tert-butoxycarbonyl)azepane-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: 96.0%

(S)-1-(tert-butoxycarbonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid → (2S)-1-(tert-butoxycarbonyl)-2-azepanecarboxylic acid (155905-76-3,1034708-26-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; water; at 40 ℃; for 3h;

DOI:10.1016/j.ejmech.2018.01.002

Reference yield: 94.0%

C12H21NO4*C8H11N → (2S)-1-(tert-butoxycarbonyl)-2-azepanecarboxylic acid (155905-76-3,1034708-26-3)

Guidance literature:

With potassium hydrogensulfate; In dichloromethane; water; pH=Ca. 2;

Reference yield: 80.0%

C12H21NO4*C8H11N → (2S)-1-(tert-butoxycarbonyl)-2-azepanecarboxylic acid (155905-76-3,1034708-26-3)

Guidance literature:

With potassium hydrogensulfate; In dichloromethane; water; at 20 ℃; pH=Ca. 2;

upstream raw materials:

2-hydroxymethylazepane-1-carboxylic acid 1-tert-butyl ester

4,5,6,7-tetrahydro-azepine-1,2-dicarboxylic acid 1-tert-butyl ester

di-tert-butyl dicarbonate

(S)-perhydro-2-azepinecarboxylic acid

Downstream raw materials:

C₂₂H₂₉N₃O₄S