(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Base Information

• Chemical Name: (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
• CAS No.: 927679-54-7
• Molecular Formula: C11H17NO4
• Molecular Weight: 227.26
• Hs Code.: 2933998090
• Mol file: 927679-54-7.mol

Synonyms:(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid;

Chemical Property of (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.03E-06mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 355.9 °C at 760 mmHg
• PKA: 4.56±0.20(Predicted)
• Flash Point: 169 °C
• PSA: 66.84000
• Density: 1.276 g/cm³
• LogP: 1.12180
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

exo-3-Boc-3-azabicyclo[3.1.0]hexane-6-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

There total 11 articles about (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-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: 96.5%

3-(tert-butyl) 6-ethyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate (134575-37-4) → (1α,5α,6α)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (927679-54-7,1119512-39-8,1401464-07-0)

Guidance literature:

3-(tert-butyl) 6-ethyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate; With sodium hydroxide; In ethanol; at 0 - 20 ℃; for 3h;

With hydrogenchloride; In water;

Reference yield: 95.0%

(1R,5S,6r)-tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (419572-18-2) → (1α,5α,6α)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (927679-54-7,1119512-39-8,1401464-07-0)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 ℃;

DOI:10.1021/op200174k

Reference yield:

(1R,5S,6s)-2,4-dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid (187681-87-4) → (1α,5α,6α)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (927679-54-7,1119512-39-8,1401464-07-0)

Guidance literature:

Multi-step reaction with 6 steps

1.1: triethylamine / acetone / 3 h / 20 °C / Large scale reaction

1.2: 1 h / Reflux; Large scale reaction

2.1: sulfuric acid / 6 h / 60 °C / Large scale reaction

3.1: 15 - 30 °C

4.1: 16 h / 30 °C / 3345.86 Torr

6.1: oxalyl dichloride; dimethyl sulfoxide; triethylamine / dichloromethane / -78 °C

With oxalyl dichloride; sulfuric acid; dimethyl sulfoxide; triethylamine; In dichloromethane; acetone;

DOI:10.1021/op200174k

upstream raw materials:

(1R,5S,6r)-tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

(1R,5S,6s)-2,4-dioxo-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid

(1R,5S,6r)-3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

ethyl 5-benzyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Downstream raw materials:

1-methyl-1H-imidazole-4-carboxylic acid (3-chloro-4-fluoro-benzyl)-(3-methyl-3-aza-bicyclo[3.1.0]hex-6-ylmethyl)-amide

C₁₈H₂₄ClFN₂O₂

(1R,5S,6r)-tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

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