(S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC ACID

Base Information

• Chemical Name: (S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC ACID
• CAS No.: 71066-01-8
• Molecular Formula: C12H23NO4
• Molecular Weight: 245.32
• Mol file: 71066-01-8.mol

Synonyms:(S)-2-N-BOC-AMINO-HEPTANOIC ACID;(S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC ACID;N-BOC-(S)-2-AMINOHEPTANOIC ACID;N-ALPHA-T-BUTOXYCARBONYL-L-2-AMINO-HEPTANOIC ACID;BOC-AHEP(2)-OH;BOC-(2S)-2-AMINO-HEPTANOIC ACID

Chemical Property of (S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC ACID

Chemical Property:

• Vapor Pressure: 1.09E-06mmHg at 25°C
• Refractive Index: 1.463
• Boiling Point: 375.9°C at 760 mmHg
• PKA: 4.02±0.21(Predicted)
• Flash Point: 181.2°C
• PSA: 75.63000
• Density: 1.048g/cm³
• LogP: 2.93550
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-((tert-Butoxycarbonyl)amino)heptanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC ACID

There total 10 articles about (S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOIC 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:

(2S)-2-aminoheptanoic acid (44902-02-5) + di-tert-butyl dicarbonate (24424-99-5) → (S)-2-[(tert-butoxycarbonyl)amino]heptanoic acid (71066-01-8,1821837-11-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.bmcl.2003.09.088

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 2-amino-6-bromo-hexanoic acid → (S)-2-[(tert-butoxycarbonyl)amino]heptanoic acid (71066-01-8,1821837-11-9)

Guidance literature:

2-amino-6-bromo-hexanoic acid; With sodium hydroxide; In 1,4-dioxane; water; at 0 ℃; for 0.166667h;

di-tert-butyl dicarbonate; In 1,4-dioxane; water; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.09.100

Reference yield:

(S)-N-(tert-butoxycarbonyl)serine (3262-72-4) → (S)-2-[(tert-butoxycarbonyl)amino]heptanoic acid (71066-01-8,1821837-11-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 73 percent / 1-hydroxybenzotriazole, dicyclohexylcarbodiimide / tetrahydrofuran / 0 °C

2: 74 percent / PPh₃, diethylazodicarboxylate / tetrahydrofuran / 0 °C

3: 29 percent / CuBr*Me₂S / tetrahydrofuran; toluene / 18 h / -20 °C

4: 1.) CF₃CO₂H; 2.) 6N HCl

With hydrogenchloride; copper(I) bromide dimethylsulfide complex; benzotriazol-1-ol; dicyclohexyl-carbodiimide; triphenylphosphine; trifluoroacetic acid; diethylazodicarboxylate; In tetrahydrofuran; toluene;

DOI:10.1016/0040-4039(96)00676-4

upstream raw materials:

((S)-1-tert-Butylcarbamoyl-hexyl)-carbamic acid tert-butyl ester

(S)-2-tert-Butoxycarbonylamino-heptanoic acid tert-butyl ester

(2S)-2-aminoheptanoic acid

di-tert-butyl dicarbonate

Downstream raw materials:

C₃₆H₅₆N₆O₉S₂

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