(3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium

Base Information

• Chemical Name: (3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
• CAS No.: 58005-18-8
• Molecular Formula: Br*C₁₁H₂₂NO
• Molecular Weight: 264.206
• Hs Code.: 2939800000
• UNII: VU6A5A4EGI
• Mol file: 58005-18-8.mol

Synonyms:(3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium;Ipratropium Impurity A;N-Isopropylnortropine Methobromide (Impurity);SCHEMBL4840612;SCH 1100;SCH-1100;N-ISOPROPYLNORTROPINE METHOBROMIDE;IPRATROPIUM BROMIDE IMPURITY A[EP IMPURITY];(1R,3r,5S,8s)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide;(8R)-3.ALPHA.-HYDROXY-8-ISOPROPYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE;(1R,3R,5S,8R)-3-HYDROXY-8-METHYL-8-(1-METHYLETHYL)-8-AZONIABICYCLO(3.2.1)OCTANE, BROMIDE.;8-AZONIABICYCLO(3.2.1)OCTANE, 3-HYDROXY-8-METHYL-8-(1-METHYLETHYL)-, BROMIDE (1:1), (3-ENDO,8-SYN)-

Chemical Property of (3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 20.23000
• Density: g/cm³
• LogP: -1.51010
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 263.08848
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

N-IsopropylnortropineMethobromide(Impurity) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)[N+]1(C2CCC1CC(C2)O)C.[Br-]
• Isomeric SMILES: CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)O)C.[Br-]
• Uses: N-Isopropylnortropine Methobromide (Ipratropium EP Impurity A) is an impurity of Ipratropium (Bromide Monohydrate: I740500), an Atropine (A794625)-like bronchodilator that acts via an anticholinergic pathway, and is used to treat patients with chronic bronchitis, cardiac obstructive pulmonary disease (COPD) and asthma.

Technology Process of (3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium

There total 2 articles about (3-Endo,8-syn)-3-hydroxy-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium 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: 93.0%

methyl bromide (74-83-9) + endo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol (3423-25-4) → 3-hydroxy-8-isopropyl-8-methyl-8-azonia-bicyclo[3.2.1]octane; bromide (58005-18-8)

Guidance literature:

In diethyl ether; acetonitrile; for 120h;

DOI:10.1080/00397910601039119

Reference yield: 58.0%

methyl bromide (74-83-9) + C10H19NO → 3-hydroxy-8-isopropyl-8-methyl-8-azonia-bicyclo[3.2.1]octane; bromide (58005-18-8)

Guidance literature:

In acetonitrile; at -20 ℃; for 12h; Sealed tube; Inert atmosphere;

upstream raw materials:

methyl bromide

endo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol