(S)-1-Boc-azepane-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-Boc-azepane-2-carboxylic acid
• CAS No.: 155905-76-3
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Mol file: 155905-76-3.mol

Synonyms:(S)-perhydro-azepine-1,2-dicarboxylic acid 1-tert-butyl ester;(S)-AZEPANE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;(S)-1-(BOC)AZEPANE-2-CARBOXYLIC ACID;(2S)-1-(tert-butoxycarbonyl)-2-azepanecarboxylic acid;(S)-(-)-1-(tert-Butoxycarbonyl)-2-azepanecarboxylic acid;

Chemical Property of (S)-1-Boc-azepane-2-carboxylic acid

Chemical Property:

• Melting Point: 110-112 °C
• Boiling Point: 369.0±35.0 °C(Predicted)
• PKA: 4.03±0.20(Predicted)
• PSA: 66.84000
• Density: 1.133±0.06 g/cm3(Predicted)
• LogP: 2.18860

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-Boc-azepane-2-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-1-Boc-azepane-2-carboxylic acid

There total 25 articles about (S)-1-Boc-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:

(S)-perhydro-2-azepinecarboxylic acid

C₆₄H₉₀N₄O₁₅

1-[2-(4-methyl-2-{methyl-[2-(4-methyl-2-{methyl-[2-(4-methyl-2-methylamino-pentanoyloxy)-3-phenyl-propionyl]-amino}-pentanoyloxy)-propionyl]-amino}-pentanoyloxy)-3-phenyl-propionyl]-azepane-2-carboxylic acid 1-benzyloxycarbonyl-ethyl ester

N-methyl-L-leucyl-3-phenyl-D-lactyl-N-methyl-L-leucyl-D-lactyl-N-methyl-L-leucyl-3-phenyl-D-lactyl-L-azepanyl-D-lactic acid