1-(Chloromethyl)adamantane

Base Information

• Chemical Name: 1-(Chloromethyl)adamantane
• CAS No.: 770-70-7
• Molecular Formula: C11H17Cl
• Molecular Weight: 184.709
• Hs Code.: 2903890090
• European Community (EC) Number: 851-276-1
• DSSTox Substance ID: DTXSID40366531
• Nikkaji Number: J792.929C
• Wikidata: Q82151783
• Mol file: 770-70-7.mol

Synonyms:1-(chloromethyl)adamantane;770-70-7;1-chloromethyladamantane;1-adamantyl methyl chloride;3-Chloromethyladamantane;SCHEMBL5149317;DTXSID40366531;MFCD05270855;STL280210;AKOS008030329;EN300-09493;(3R,5S,7S)-1-(CHLOROMETHYL)ADAMANTANE;1-(chloromethyl)tricyclo[3.3.1.1~3,7~]decane;Tricyclo[3.3.1.13,7]decane, 1-(chloromethyl)-;Z56979293;F3052-0024

Chemical Property of 1-(Chloromethyl)adamantane

Chemical Property:

• Vapor Pressure: 0.0401mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 247.6°C at 760 mmHg
• Flash Point: 102.6°C
• PSA: 0.00000
• Density: 1.108g/cm³
• LogP: 3.44160
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 184.1018782
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

1-(CHLOROMETHYL)ADAMANTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CCl

Technology Process of 1-(Chloromethyl)adamantane

There total 2 articles about 1-(Chloromethyl)adamantane 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:

acetonitrile (75-05-8,26809-02-9) + 1-adamantylmethoxychlorocarbene → 1-chloroadamantane (935-56-8) + 1-adamanthanol (768-95-6) + 1-chloromethyladamantane (770-70-7) + N-(1-adamantyl)acetamide (880-52-4) + 1-Adamantylcarbinyl-formiat (14504-79-1) + 1-Dichloromethoxymethyl-adamantane

Guidance literature:

at 25 ℃; Rate constant; Product distribution; var. solvent;

DOI:10.1021/ja962194h

Reference yield:

methanol (67-56-1) + 1-adamantylmethoxychlorocarbene → 1-adamantanemethanol (770-71-8) + 1-chloromethyladamantane (770-70-7) + homoadamantanyl chloride (27011-47-8) + 3-homoadamantyl-1-methyl ether (21898-92-0)

Guidance literature:

In 1,2-dichloro-ethane; at 25 ℃; for 1h; Further Variations:; Solvents; Product distribution; Photolysis;

DOI:10.1021/ja040146o

Reference yield: 95.0%

1-chloromethyladamantane (770-70-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-benzyl(adamantane) (7131-11-5)

Guidance literature:

With aluminium trichloride; at 80 ℃; for 1.25h;

DOI:10.1021/jo00320a023

upstream raw materials:

acetonitrile

methanol

Downstream raw materials:

1-benzyl(adamantane)

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