Unii-799dfe3VA3

Base Information

• Chemical Name: Unii-799dfe3VA3
• CAS No.: 13137-31-0
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• UNII: 7L4QZ85547,799DFE3VA3
• Nikkaji Number: J1.369.662D

Synonyms:UNII-799DFE3VA3;2-Norbornanemethanol, endo-;799DFE3VA3;13137-31-0;2-Hydroxymethylnorcamphane, endo-;7L4QZ85547;2-Hydroxymethylnorcamphane, (1R-endo)-;2-Hydroxymethylnorcamphane, (1R,2S,4S)-;Bicyclo(2.2.1)heptane-2-methanol, endo-;(1R,2S,4S)-Bicyclo(2.2.1)heptane-2-methanol;Bicyclo(2.2.1)heptane-2-methanol, (1R-endo)-;[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methanol;Bicyclo(2.2.1)heptane-2-methanol, (1R,2S,4S)-;Bicyclo(2.2.1)heptane-2-methanol, (1R,2S,4S)-rel-;160080-66-0;UNII-7L4QZ85547;AKOS032950048

Chemical Property of Unii-799dfe3VA3

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC1CC2CO
• Isomeric SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CO

Technology Process of Unii-799dfe3VA3

There total 8 articles about Unii-799dfe3VA3 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:

endo-norbornenecarboxylic acid (120-74-1,934-30-5,1195-12-6,20507-53-3,58001-99-3,67999-50-2,67999-53-5,74645-32-2,108266-75-7) + C7H12NO3(1-)*Na(1+) → (S)-1-(Bicyclo[2.2.1]hept-5-ene-2-carbonyl)-5-methoxymethoxymethyl-pyrrolidin-2-one (125700-88-1,125700-89-2,125700-91-6,125700-92-7) + (+/-)-hexahydro-1,4-methano-cyclopenta[c]furan-3-one (6931-48-2,60133-52-0,68035-50-7,101977-48-4) + endo-2-(trideuteromethyl)bicyclo<2.2.1>heptane (94427-76-6) + endo-2-Bicyclo<2.2.2>heptylmethanol (13137-31-0) + C8H10(2)H2O

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlD₄

2: H₂

With lithium aluminium deuteride; hydrogen;

DOI:10.1021/j100252a010

Reference yield:

5-carboxybicyclo<2.2.1>hept-2-ene (120-74-1,934-30-5,1195-12-6,20507-53-3,58001-99-3,67999-50-2,67999-53-5,74645-32-2,108266-75-7) → endo-2-Bicyclo<2.2.2>heptylmethanol (13137-31-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1021/jo01313a004

Reference yield:

→ norbornan-2-yl-methanol (5240-72-2,13118-79-1,13137-31-0,67844-31-9,69831-11-4,130405-12-8,130405-14-0,130405-15-1)

Guidance literature:

Aether 3d, Li/H2N-CH2-CH2-NH2;

DOI:10.1021/jo00944a005

upstream raw materials:

endo-norbornenecarboxylic acid

5-carboxybicyclo<2.2.1>hept-2-ene

Downstream raw materials:

racem. endo-2--norbornan

(+/-)-2endo-methyl-norbornane

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