Unii-855F02C19L

Base Information

• Chemical Name: Unii-855F02C19L
• CAS No.: 537-29-1
• Molecular Formula: C16H21NO3
• Molecular Weight: 275.348
• Hs Code.: 2933990090
• UNII: 855F02C19L
• DSSTox Substance ID: DTXSID501317263
• Metabolomics Workbench ID: 67798
• Wikidata: Q104918486
• Mol file: 537-29-1.mol

Synonyms:noratropine;noratropine (3(S)-endo)-isomer;noratropine ethanedioate (2:1) salt, endo-(+-)-isomer;norhyoscyamine

Chemical Property of Unii-855F02C19L

Chemical Property:

• Melting Point: 140.5°
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 440.2°Cat760mmHg
• PKA: 14.12±0.10(Predicted)
• Flash Point: 220°C
• PSA: 58.56000
• Density: 1.21g/cm³
• LogP: 1.91750
• Storage Temp.: ?20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 275.15214353
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

Norhyoscyamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3
• Isomeric SMILES: C1C[C@H]2CC(C[C@@H]1N2)OC(=O)[C@H](CO)C3=CC=CC=C3
• Description: An alkaloid isolated by Petrie from Solandra longiflora, the base has subsequently been shown to be identical with norHyoscyamine (q.v.).

Technology Process of Unii-855F02C19L

There total 1 articles about Unii-855F02C19L 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:

→ Nor-hyoscyamin (537-29-1,10139-28-3,16442-56-1,16839-98-8)

Guidance literature:

Aus Hyoscyamin;

DOI:10.1007/BF00624423

Reference yield:

norhyoscyamine (537-29-1) → Tropic acid (529-64-6,28845-94-5) + nortropine (538-09-0)

Guidance literature:

Hydrolysis;

Reference yield:

norhyoscyamine (537-29-1) → Tropic acid (529-64-6,28845-94-5)

Guidance literature:

Hydrolysis;

Downstream raw materials:

Noratropine

Tropic acid

nortropine

Refernces