4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol

Base Information

• Chemical Name: 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol
• CAS No.: 18910-70-8
• Molecular Formula: C14H23NO3
• Molecular Weight: 253.342
• Hs Code.: 2922504500
• UNII: 2NQV4L47S2
• ChEMBL ID: CHEMBL3303629
• Wikidata: Q27255143
• Mol file: 18910-70-8.mol

Synonyms:18910-70-8;4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol;Salbutamol Impurity M;UNII-2NQV4L47S2;Salbutamol sulfate impurity M;2NQV4L47S2;4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(methoxymethyl)phenol;(1RS)-2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(methoxymethyl)phenyl]ethanol;Benzenemethanol, alpha-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-3-(methoxymethyl)-;(1RS)-2-((1,1-DIMETHYLETHYL)AMINO)-1-(4-HYDROXY-3-(METHOXYMETHYL)PHENYL)ETHANOL;O-Methyl Albuterol;SCHEMBL6700369;SALBUTAMOL EP IMPURITY M;CHEMBL3303629;BCP34375;SALBUTAMOL SULFATE IMPURITY M [EP IMPURITY];Q27255143;(+/-)-4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-(METHOXYMETHYL)PHENOL;BENZYL ALCOHOL, .ALPHA.-((TERT-BUTYLAMINO)METHYL)-4-HYDROXY-3-(METHOXYMETHYL)-;.ALAPHA. (((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-3-(METHOXYMETHYL)-BENZENEMETHANOL;BENZENEMETHANOL, .ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-3-(METHOXYMETHYL)-

Chemical Property of 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol

Chemical Property:

• Boiling Point: 402.2±40.0 °C(Predicted)
• PKA: 9.53±0.50(Predicted)
• PSA: 61.72000
• Density: 1.087±0.06 g/cm3(Predicted)
• LogP: 2.35100
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 253.16779360
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

O-MethylAlbuterol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)COC)O
• Uses: O-Methyl Albuterol (Levalbuterol USP Related Compound C) is an impurity in the synthesis of Albuterol (A514501), rac Albuterol is a β2-adrenoceptor agonist. Bronchodilator; tocolytic.

Technology Process of 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol

There total 2 articles about 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(methoxymethyl)phenol 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: 92.3%

methanol (67-56-1) + (R)-α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol D-dibenzoyltartrate (348135-26-2) → N-(tert-butyl)-2-methoxy-2-(4-hydroxy-3-(hydroxymethyl)phen-1-yl)-ethanamine (870076-72-5) + SLB-OMe prim (18910-70-8) + Levalbuterol (34391-04-3,34271-50-6)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at -2 - 2 ℃; for 1.25 - 2h; Product distribution / selectivity;

Reference yield:

→ SLB-OMe prim (18910-70-8)

Guidance literature:

Keton 6e, H2-RaNi;

DOI:10.1021/jm00189a012

upstream raw materials:

methanol

(R)-α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol D-dibenzoyltartrate

Refernces