N-Benzyl(2-hydroxycycloheptyl)methanaminium

Base Information

• Chemical Name: N-Benzyl(2-hydroxycycloheptyl)methanaminium
• CAS No.: 98516-19-9
• Molecular Formula: C15H23 N O
• Molecular Weight: 269.81
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID10913233
• Wikidata: Q82883795
• Mol file: 98516-19-9.mol

Synonyms:98516-19-9;N-Benzyl(2-hydroxycycloheptyl)methanaminium;DTXSID10913233

Chemical Property of N-Benzyl(2-hydroxycycloheptyl)methanaminium

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 133-135 °C
• Boiling Point: 364°Cat760mmHg
• Flash Point: 102.8°C
• PSA: 32.26000
• Density: g/cm³
• LogP: 3.91030
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 234.185789389
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

98%Min ^*data from raw suppliers

CIS-2-BENZYLAMINOMETHYL-1-CYCLOHEPTANOL HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(CC1)O)C[NH2+]CC2=CC=CC=C2
• Isomeric SMILES: C1CC[C@H]([C@H](CC1)O)C[NH2+]CC2=CC=CC=C2

Technology Process of N-Benzyl(2-hydroxycycloheptyl)methanaminium

There total 4 articles about N-Benzyl(2-hydroxycycloheptyl)methanaminium 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: 87.0%

cis-2-benzoylaminomethyl-1-cycloheptanol (60622-97-1,60622-98-2) → (1R,2R)-2-(Benzylamino-methyl)-cycloheptanol (98516-19-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 24h; Heating;

Reference yield:

Cycloheptene (628-92-2,45509-99-7) → (1R,2R)-2-(Benzylamino-methyl)-cycloheptanol (98516-19-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / conc. sulfuric acid / acetic acid / 4 h / 12 - 15 °C

2: 78 percent / 20 percent NaOH / ethanol; H₂O / 18 h / Heating

3: 87 percent / lithium tetrahydridoaluminate(III) / diethyl ether / 24 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; sulfuric acid; In diethyl ether; ethanol; water; acetic acid;

Reference yield:

N-(hydroxymethyl)benzamide (6282-02-6) → (1R,2R)-2-(Benzylamino-methyl)-cycloheptanol (98516-19-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 54 percent / conc. sulfuric acid / acetic acid / 4 h / 12 - 15 °C

2: 78 percent / 20 percent NaOH / ethanol; H₂O / 18 h / Heating

3: 87 percent / lithium tetrahydridoaluminate(III) / diethyl ether / 24 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; sulfuric acid; In diethyl ether; ethanol; water; acetic acid;

upstream raw materials:

cis-2-benzoylaminomethyl-1-cycloheptanol

Cycloheptene

N-(hydroxymethyl)benzamide

cis-5,6-cycloheptylene-5,6-dihydro-2-phenyl-4H-1,3-oxazine

Refernces