Hexahydro-2,5-methano-pentalene-3a-carbonyl chloride

Base Information

• Chemical Name: Hexahydro-2,5-methano-pentalene-3a-carbonyl chloride
• CAS No.: 67064-09-9
• Molecular Formula: C₁₀H₁₃ClO
• Molecular Weight: 184.666
• Hs Code.: 2916399090
• European Community (EC) Number: 623-478-8
• Nikkaji Number: J345.869E
• Mol file: 67064-09-9.mol

Synonyms:67064-09-9;Tricyclo[3.3.1.03,7]nonane-3-carbonyl chloride;Hexahydro-2,5-methano-pentalene-3a-carbonyl chloride;3-Noradamantanecarbonyl chloride;SCHEMBL927164;noradamantane-3-carbonyl chloride;FEJBSNLESASJKD-UHFFFAOYSA-N;Hexahydro-2,5-methanopentalene-3a(1H)-carbonyl chloride

Chemical Property of Hexahydro-2,5-methano-pentalene-3a-carbonyl chloride

Chemical Property:

• Refractive Index: n20/D 1.5159
• Boiling Point: 235.6±9.0 °C(Predicted)
• Flash Point: 109oC
• PSA: 17.07000
• Density: 1.165 g/mL at 25oC
• LogP: 2.57810
• Sensitive.: Moisture Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.0654927
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

98% ^*data from raw suppliers

3-Noradamantanecarbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 22-34-52/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2CC3CC1CC3(C2)C(=O)Cl

Technology Process of Hexahydro-2,5-methano-pentalene-3a-carbonyl chloride

There total 2 articles about Hexahydro-2,5-methano-pentalene-3a-carbonyl 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: 99.0%

3-noradamantanecarboxylic acid (16200-53-6) → 3-noradamantanecarboxylic acid chloride (67064-09-9)

Guidance literature:

With oxalyl dichloride; In dichloromethane;

Reference yield:

→ 3-noradamantanecarboxylic acid chloride (67064-09-9)

Guidance literature:

Noradamantan-3-carbonsaeure, SOCl2;

Reference yield: 95.0%

5,6-diamino-1-(2-hydroxy-3-phenoxypropyl)uracil (886439-99-2) + 3-noradamantanecarboxylic acid chloride (67064-09-9) → hexahydro-2,5-methano-pentalene-3a-carboxylic acid [6-amino-1-(2-hydroxy-3-phenoxy-propyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-amide (886440-14-8)

Guidance literature:

With pyridine;

DOI:10.1016/j.bmc.2005.11.050

upstream raw materials:

3-noradamantanecarboxylic acid

Downstream raw materials:

hexahydro-2,5-methano-pentalene-3a-carboxylic acid [6-amino-1-(2-hydroxy-3-phenoxy-propyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-amide

6-benzoyloxy-2-[hexahydro-2,5-methanopentalen-3a(1H)-yl]-4H-1-benzopyran-4-one

rolofylline

1-Hydroxy-2-aza-adamantan

Refernces

• 1、 Wang, Yan-Xiang,Pang, Wei-Qiang,Zeng, Qing-Xuan,Deng, Zhe-Song,Fan, Tian-Yun,Jiang, Jian-Dong,Deng, Hong-Bin,Song, Dan-Qing. "Synthesis and biological evaluation of new berberine derivatives as cancer immunotherapy agents through targeting IDO1". . p. 1858 - 1868. Retrieved 2017/11/17.
• 2、 -. "NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS". Page/Page column 58-59. . Retrieved 2010/06/11.