exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane

Base Information

• Chemical Name: exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane
• CAS No.: 871239-62-2
• Molecular Formula: C11H16N2O2
• Molecular Weight: 208.25694
• Mol file: 871239-62-2.mol

Synonyms:exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane;(1R,5S,6r)-tert-Butyl 6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

Chemical Property of exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane

Chemical Property:

• Melting Point: 72-73 °C(Solv: heptane (142-82-5))
• Boiling Point: 326.7±35.0 °C(Predicted)
• PKA: -2.48±0.40(Predicted)
• PSA: 53.33000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.56078

Purity/Quality:

97% ^*data from raw suppliers

exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane

There total 3 articles about exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane 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%

(1R,5S)-6-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester (1269429-62-0) → tert-butyl (1R,5S,6r)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate (871239-62-2)

Guidance literature:

With isocyanuric acid; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

(1α,5α,6α)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (927679-54-7,1119512-39-8,1401464-07-0) → tert-butyl (1R,5S,6r)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate (871239-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0 °C

2: 1,3,5-trichloro-2,4,6-triazine / N,N-dimethyl-formamide / 0 °C

With 1,3,5-trichloro-2,4,6-triazine; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2014.01.013

Reference yield:

3-(tert-butyl) 6-ethyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate (134575-37-4) → tert-butyl (1R,5S,6r)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate (871239-62-2)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium hydroxide / tetrahydrofuran; methanol / 20 °C

2: ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0 °C

3: 1,3,5-trichloro-2,4,6-triazine / N,N-dimethyl-formamide / 0 °C

With 1,3,5-trichloro-2,4,6-triazine; ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2014.01.013

upstream raw materials:

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

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

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

Downstream raw materials:

C₁₆H₁₈N₂O₂S

C₁₆H₁₇FN₂O₂S

C₁₉H₂₄Cl₂N₂O₃S

C₂₀H₂₆Cl₂N₂O₃S

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 871239-62-2 exo-3-Boc-6-cyano-3-azabicyclo[3.1.0]hexane

Send

Send

Metric Ton KG G Pound L ML

Send

Send