Welcome to LookChem.com Sign In|Join Free

CAS

  • or

56796-66-8

56796-66-8

Post Buying Request

56796-66-8 Suppliers

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier

56796-66-8 Usage

Description

4-(benzyloxy)-alpha-[[tert-butylamino]methyl]-m-xylene-alpha,alpha'-diol is a complex organic compound with a unique molecular structure. It is characterized by the presence of a benzyloxy group, a tert-butylamino group, and a m-xylene backbone with two hydroxyl groups. 4-(benzyloxy)-alpha-[[tert-butylamino]methyl]-m-xylene-alpha,alpha'-diol has potential applications in various industries due to its chemical properties.

Uses

Used in Pharmaceutical Industry:
4-(benzyloxy)-alpha-[[tert-butylamino]methyl]-m-xylene-alpha,alpha'-diol is used as a Salbutamol precursor for the synthesis of 4-Benzyl Albuterol. Salbutamol, also known as albuterol, is a medication used to treat asthma, chronic obstructive pulmonary disease (COPD), and other respiratory conditions. It works by relaxing the muscles in the airways, providing relief from breathing difficulties.
Additionally, 4-(benzyloxy)-alpha-[[tert-butylamino]methyl]-m-xylene-alpha,alpha'-diol is used as an impurity in the production of Rosiglitazone Maleate Imp A. Rosiglitazone is an oral medication used to treat type 2 diabetes by improving the body's sensitivity to insulin. The presence of this compound as an impurity helps in the quality control and standardization of the final pharmaceutical product.

Check Digit Verification of cas no

The CAS Registry Mumber 56796-66-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,7,9 and 6 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 56796-66:
(7*5)+(6*6)+(5*7)+(4*9)+(3*6)+(2*6)+(1*6)=178
178 % 10 = 8
So 56796-66-8 is a valid CAS Registry Number.

56796-66-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail

  • Sigma-Aldrich

  • (Y0000032)  Salbutamol impurity I  European Pharmacopoeia (EP) Reference Standard

  • 56796-66-8

  • Y0000032

  • 1,880.19CNY

  • Detail

56796-66-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Benzyl Albuterol

1.2 Other means of identification

Product number -
Other names a1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:56796-66-8 SDS

56796-66-8Synthetic route

methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(benzyloxy) benzoate
174607-70-6

methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(benzyloxy) benzoate

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 60℃; for 1h; Inert atmosphere;90%
diacetate salt of (S)-salbutamol
1005420-25-6

diacetate salt of (S)-salbutamol

diacetate salt of (R)-salbutamol
1005420-26-7

diacetate salt of (R)-salbutamol

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
With sodium hydroxide; water at 80 - 85℃; for 15 - 16h;
5-acetyl-2-benzyloxybenzoic acid methyl ester
27475-09-8

5-acetyl-2-benzyloxybenzoic acid methyl ester

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogen bromide; water; dimethyl sulfoxide / acetonitrile / 4 h / 40 - 60 °C / Inert atmosphere
2: Isopropyl acetate / 2.5 h / 40 °C / Inert atmosphere
3: sodium tetrahydroborate / methanol / 2.33 h / 20 - 35 °C / Inert atmosphere
4: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 1 h / 60 °C / Inert atmosphere
View Scheme
C17H16O6

C17H16O6

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: Isopropyl acetate / 2.5 h / 40 °C / Inert atmosphere
2: sodium tetrahydroborate / methanol / 2.33 h / 20 - 35 °C / Inert atmosphere
3: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 1 h / 60 °C / Inert atmosphere
View Scheme
methyl 5-[[(1,1-dimethylethyl)imino]acetyl]-2-(benzyloxy)benzoate

methyl 5-[[(1,1-dimethylethyl)imino]acetyl]-2-(benzyloxy)benzoate

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / methanol / 2.33 h / 20 - 35 °C / Inert atmosphere
2: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 1 h / 60 °C / Inert atmosphere
View Scheme
benzyl bromide
100-39-0

benzyl bromide

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / acetonitrile / 0.75 h / Inert atmosphere
1.2: 2 h / Reflux; Inert atmosphere
2.1: hydrogen bromide; water; dimethyl sulfoxide / acetonitrile / 4 h / 40 - 60 °C / Inert atmosphere
3.1: Isopropyl acetate / 2.5 h / 40 °C / Inert atmosphere
4.1: sodium tetrahydroborate / methanol / 2.33 h / 20 - 35 °C / Inert atmosphere
5.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 1 h / 60 °C / Inert atmosphere
View Scheme
estere metilico dell'acido 5-acetilsalicilico
16475-90-4

estere metilico dell'acido 5-acetilsalicilico

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate / acetonitrile / 0.75 h / Inert atmosphere
1.2: 2 h / Reflux; Inert atmosphere
2.1: hydrogen bromide; water; dimethyl sulfoxide / acetonitrile / 4 h / 40 - 60 °C / Inert atmosphere
3.1: Isopropyl acetate / 2.5 h / 40 °C / Inert atmosphere
4.1: sodium tetrahydroborate / methanol / 2.33 h / 20 - 35 °C / Inert atmosphere
5.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 1 h / 60 °C / Inert atmosphere
View Scheme
α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

Lg-tartaric acid mono-(4-nitro-anilide)
60908-35-2

Lg-tartaric acid mono-(4-nitro-anilide)

4-nitro tartranilic acid salt of (R)-isomer of 4-benzyl salbutamol
1005420-21-2

4-nitro tartranilic acid salt of (R)-isomer of 4-benzyl salbutamol

Conditions
ConditionsYield
Stage #1: α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol; Lg-tartaric acid mono-(4-nitro-anilide) In ethyl acetate; isopropyl alcohol at 75℃; for 44h; Resolution of racemate;
Stage #2: In ethyl acetate; isopropyl alcohol at 70 - 75℃; for 2h;		90%
In ethyl acetate; isopropyl alcohol at 75℃; for 44h;90%
α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

Conditions
ConditionsYield
Stage #1: α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol With palladium 10% on activated carbon; hydrogen In ethanol at 50℃; under 1500.15 Torr; for 2h;
Stage #2: With sulfuric acid In ethanol at 15℃;		77%
α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

3,5-dinitrobenzoic acid
99-34-3

3,5-dinitrobenzoic acid

S-4-benzyl-salbutamol*3,5-dinitro-benzoic acid

S-4-benzyl-salbutamol*3,5-dinitro-benzoic acid

Conditions
ConditionsYield
In methanol at 21 - 60℃; for 18.33h; Product distribution / selectivity;14.2%
In 1-methyl-pyrrolidin-2-one; 2-methyl-propan-1-ol; water at 22 - 60℃; for 0.333333h; Product distribution / selectivity; Surfactant (polyethoxylate of nonylphenol (HLB >10): Synperonic NP10);10.4%
α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol
56796-66-8

α1-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

acetic anhydride
108-24-7

acetic anhydride

A

diacetate salt of (S)-salbutamol
1005420-25-6

diacetate salt of (S)-salbutamol

B

diacetate salt of (R)-salbutamol
1005420-26-7

diacetate salt of (R)-salbutamol

Conditions
ConditionsYield
at 100 - 105℃; for 2h; Reflux;

56796-66-8Relevant articles and documents

A chromatography-free synthesis of racemic salbutamol hemisulfate

Vanoost, Agathe,Petit, Laurent

, (2020/06/30)

Our efforts to achieve an efficient synthesis of racemic salbutamol hemisulfate are described. The selected chemical route starts from commodity chemicals and allows the generation of salbutamol hemisulfate in 5 steps and 44% overall yield without any purification by column chromatography. The reaction sequence has been optimized to provide the title compound using robust procedures. Emphasis on reproducibility and experimental simplicity drove the work described herein.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 56796-66-8