Pseudotropine

Base Information

• Chemical Name: Pseudotropine
• CAS No.: 7432-10-2
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.213
• European Community (EC) Number: 204-384-2
• NSC Number: 241183,43871,43870
• DSSTox Substance ID: DTXSID70859224
• Nikkaji Number: J9.350E
• Wikipedia: Tropine,Pseudotropine
• Wikidata: Q104972312
• NCI Thesaurus Code: C61994
• ChEMBL ID: CHEMBL113555
• Mol file: 7432-10-2.mol

Synonyms:pseudotropine;tropine;tropine hydrobromide, (endo)-isomer;tropine hydrochloride, (endo)-isomer;tropine hydrochloride, (exo)-isomer;tropine, (exo)-isomer

Chemical Property of Pseudotropine

Chemical Property:

• Melting Point: 63-64°C
• PSA: 23.47000
• LogP: 0.54180
• Storage Temp.: Refrigerator
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

98%Min ^*data from raw suppliers

3-Tropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CN1C2CCC1CC(C2)O
• Uses: 3-Tropanol can be used as tropane derivative, and common reagent used in the synthesis of alkoids.

Technology Process of Pseudotropine

There total 22 articles about Pseudotropine 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: 96.0%

tropinone (532-24-1) → Tropanol (7432-10-2,911648-75-4)

Guidance literature:

With C₁₅H₁₈BF₃; hydrogen; tert-butylimino-tri(pyrrolidino)phosphorane; In tetrahydrofuran; at 75 ℃; for 24h; under 75007.5 Torr; Glovebox;

DOI:10.1002/chem.201804370

Reference yield:

→ (S)-tropic acid (16202-15-6,28845-94-5) + Tropanol (7432-10-2,911648-75-4)

Guidance literature:

With water; Hydrolysis.weitere Nebenprodukt:dl-Tropasaeure ;

Reference yield:

(+/-)-1-phenyl-1,2,3,4-tetrahydro-naphthalene-1r,4t-dicarboxylic acid di-tropane-3endo-yl ester (510-25-8,5878-33-1,6696-63-5,23852-32-6) → 2-phenylacrylic acid (492-38-6) + Tropanol (7432-10-2,911648-75-4)

Guidance literature:

With barium dihydroxide; ethanol; water; weitere Nebenprodukt:β-Isatropasaeure;

upstream raw materials:

(+/-)-1-phenyl-1,2,3,4-tetrahydro-naphthalene-1r,4t-dicarboxylic acid di-tropane-3endo-yl ester

tropinone

3-tropanol

apoatropine

Downstream raw materials:

3-endo-8-methyl-8-azabicyclo[3.3.1]octan-3-ol acetate

tropinone

pseudotropine

nortropine

Refernces

• 1、 R?sler, Sina,Obenauf, Johannes,Kempe, Rhett. "A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C=O Bonds". supporting information. p. 7998 - 8001. Retrieved 2015/07/08.
• 2、 Cignarella, G.,Villa, S.,Barlocco, D.. "Synthesis of a new series of 2,7-diazaspirononan-1-ones and study of their cholinergic properties". . p. 115 - 120. Retrieved 2007/10/02.