6-(Hydroxymethyl)cyclohex-3-en-1-aminium

Base Information

• Chemical Name: 6-(Hydroxymethyl)cyclohex-3-en-1-aminium
• CAS No.: 98769-56-3
• Molecular Formula: C₇H₁₃NO
• Molecular Weight: 127.186
• DSSTox Substance ID: DTXSID40913089
• Wikidata: Q82883613
• Mol file: 98769-56-3.mol

Synonyms:DTXSID40913089;6-(Hydroxymethyl)cyclohex-3-en-1-aminium

Chemical Property of 6-(Hydroxymethyl)cyclohex-3-en-1-aminium

Chemical Property:

• Vapor Pressure: 0.047mmHg at 25°C
• Boiling Point: 209.3°Cat760mmHg
• Flash Point: 80.4°C
• PSA: 46.25000
• Density: g/cm³
• LogP: 1.77450
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.107539070
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

CIS-(6-AMINO-CYCLOHEX-3-ENYL)-METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(C1CO)[NH3+]
• Isomeric SMILES: C1C=CC[C@@H]([C@@H]1CO)[NH3+]

Technology Process of 6-(Hydroxymethyl)cyclohex-3-en-1-aminium

There total 9 articles about 6-(Hydroxymethyl)cyclohex-3-en-1-aminium 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: 95.0%

(cis)-6-aminocyclohex-3-ene-1-carboxylic acid (54162-90-2,74952-21-9,97945-19-2,98856-64-5,128441-32-7,189125-31-3) → cis-2-(hydroxymethyl)-4-cyclohexenyl-1-amine (98769-56-3,98769-57-4,191803-49-3,213672-86-7,213672-92-5,213881-14-2,213881-15-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h; Heating;

DOI:10.1016/S0040-4020(01)96537-8

Reference yield: 68.0%

trans-2-amino-4-cyclohexene-1-carboxylic acid (54162-90-2,74952-21-9,97945-19-2,98856-64-5,128441-32-7,189125-31-3) → trans-2-(hydroxymethyl)-4-cyclohexenyl-1-amine (98769-56-3,98769-57-4,191803-49-3,213672-86-7,213672-92-5,213881-14-2,213881-15-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 20h; Heating;

DOI:10.1016/S0040-4020(01)96537-8

Reference yield: 62.0%

(4aS,8aR)-2-(4-Chloro-phenyl)-1,4,4a,5,8,8a-hexahydro-2H-benzo[d][1,3]oxazine (98769-61-0,98819-65-9,117142-18-4) → 4-chlorobenzaldehyde (104-88-1) + cis-2-(hydroxymethyl)-4-cyclohexenyl-1-amine (98769-56-3,98769-57-4,191803-49-3,213672-86-7,213672-92-5,213881-14-2,213881-15-3)

Guidance literature:

With acetate buffer; water; In ethanol; for 0.5h; acetate buffer, pH = 4;

upstream raw materials:

trans-2-amino-4-cyclohexene-1-carboxylic acid

((1S,6S)-6-{[1-(4-Chloro-phenyl)-meth-(E)-ylidene]-amino}-cyclohex-3-enyl)-methanol

(4aR,8aR)-2-(4-Chloro-phenyl)-1,4,4a,5,8,8a-hexahydro-2H-benzo[d][1,3]oxazine

trans-2-Carboxamidocyclohex-4-enecarboxylic acid

Downstream raw materials:

((1S,6S)-6-Hydroxymethyl-cyclohex-3-enyl)-carbamic acid ethyl ester

trans-2-(p-clorophenyl)-1,2,4a,5,8,8a-hexahydro-4H-3,1-benzoxazine