2,2'-(Adamantane-1,3-diyl)diacetyl chloride

Base Information

• Chemical Name: 2,2'-(Adamantane-1,3-diyl)diacetyl chloride
• CAS No.: 31898-14-3
• Molecular Formula: C14H18Cl2O2
• Molecular Weight: 289.19751
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID50510422
• Wikidata: Q72436549
• Mol file: 31898-14-3.mol

Synonyms:31898-14-3;2,2'-(Adamantane-1,3-diyl)diacetyl chloride;2-[3-(2-chloro-2-oxoethyl)-1-adamantyl]acetyl chloride;1,3-Adamantanediacetyl dichloride;2-[3-(2-CHLORO-2-OXOETHYL)ADAMANTAN-1-YL]ACETYL CHLORIDE;2,2'-(Adamantane-1,3-diyl)diacetylchloride;SCHEMBL11577622;DTXSID50510422;2,2'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)diacetyl chloride

Chemical Property of 2,2'-(Adamantane-1,3-diyl)diacetyl chloride

Chemical Property:

• PSA: 34.14000
• Density: 1.307±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.88400
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 288.0683852
• Heavy Atom Count: 18
• Complexity: 357

Purity/Quality:

98%Min ^*data from raw suppliers

2,2'-(Adamantane-1,3-diyl)diacetylchloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)CC(=O)Cl)CC(=O)Cl

Technology Process of 2,2'-(Adamantane-1,3-diyl)diacetyl chloride

There total 2 articles about 2,2'-(Adamantane-1,3-diyl)diacetyl chloride 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:

1,3-adamantane diacetic acid (17768-28-4) → 1,3-adamantanediacetyl dichloride (31898-14-3)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jm00241a015

Reference yield:

→ 1,3-adamantanediacetyl dichloride (31898-14-3)

Guidance literature:

Disaeure, SOCl2;

Reference yield:

1,3-adamantanediacetyl dichloride (31898-14-3) + 3,13-bis(3-aminopropyl)-8,18-bis(2-carbobenzyloxyethyl)-2,7,12,17-tetramethylporphyrin (90552-83-3) → 1,3-adamantane-3,13-porphyrin-6,6-cyclophane (90531-20-7)

Guidance literature:

With triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/ja00330a017

upstream raw materials:

1,3-adamantane diacetic acid

Downstream raw materials:

1,3-Adamantan-bis-(N-cyclohexyl-acetamid)

1,3-Adamantan-bis-(N-phenyl-N-methyl-acetamid)

1,3-adamantane-3,13-porphyrin-6,6-cyclophane

(3-ethoxycarbonylmethyl-adamantan-1-yl)-acetic acid ethyl ester