(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride

Base Information

• Chemical Name: (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride
• CAS No.: 1373205-30-1
• Molecular Formula: C8H14ClNO2
• Molecular Weight: 191.65526
• UNII: P5R2C6VP3S
• Mol file: 1373205-30-1.mol

Synonyms:1373205-30-1;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride;P5R2C6VP3S;(1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hcl;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride;(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxylic acid hydrochloride;3-Azabicyclo(3.1.0)hexane-2-carboxylic acid, 6,6-dimethyl-, hydrochloride (1:1), (1R,2S,5S)-;3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, hydrochloride (1:1), (1R,2S,5S)-;UNII-P5R2C6VP3S;SCHEMBL4300372;MFCD23106119;PB35797;AS-51823;CS-0053622;P13626;EN300-20088905;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylicacidhydrochloride

Chemical Property of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride

Chemical Property:

• PSA: 49.33000
• LogP: 1.44580
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.0713064
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

95%min ^*data from raw suppliers

(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylicacidhydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2C1C(NC2)C(=O)O)C.Cl
• Isomeric SMILES: CC1([C@@H]2[C@H]1[C@H](NC2)C(=O)O)C.Cl

Technology Process of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride

There total 5 articles about (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride 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:

(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile (1037559-82-2) → 6,6-dimethyl-3-(1R,2S,5S)-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride (1373205-30-1)

Guidance literature:

(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile; With hydrogenchloride; methanol; at -5 - 35 ℃;

With water; In methanol; at 45 - 50 ℃;

Reference yield:

3-benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane (1037559-68-4) → 6,6-dimethyl-3-(1R,2S,5S)-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride (1373205-30-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: hydrogen / palladium(II) hydroxide / methanol / 20 °C / 3677.86 - 5149.01 Torr / Autoclave

2.1: sodium hydrogensulfite; sodium hydroxide; catalase / water / 30 h / pH 7.4 / Enzymatic reaction

3.1: sodium hydrogensulfite / water / 5 °C

4.1: hydrogenchloride; methanol / -5 - 35 °C

4.2: 45 - 50 °C

With hydrogenchloride; methanol; hydrogen; sodium hydrogensulfite; sodium hydroxide; catalase; palladium(II) hydroxide; In methanol; water;

Reference yield:

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (67911-21-1) → 6,6-dimethyl-3-(1R,2S,5S)-azabicyclo[3.1.0]hexane-2-carboxylic acid hydrochloride (1373205-30-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: urea / 160 - 170 °C / Neat (no solvent)

2.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / -30 - 50 °C

3.1: sodium hydrogensulfite; sodium hydroxide; catalase / water / 30 h / pH 7.4 / Enzymatic reaction

4.1: sodium hydrogensulfite / water / 5 °C

5.1: hydrogenchloride; methanol / -5 - 35 °C

5.2: 45 - 50 °C

With hydrogenchloride; methanol; sodium tetrahydroborate; boron trifluoride diethyl etherate; sodium hydrogensulfite; urea; sodium hydroxide; catalase; In tetrahydrofuran; water;

upstream raw materials:

6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonitrile

6,6-dimethyl-3-azabicyclo[3.1.0]hexane

3-benzyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane