81863-45-8

Basic information

• Product Name: 3-AMINO-4-METHYLBENZYL ALCOHOL
• Synonyms: 3-AMINO-4-METHYLBENZYL ALCOHOL;(3-Amino-4-methylphenyl)methanol;3-AMino-4-Methylbenzyl alcohol 97%;(3-Amino-4-methylphenyl)
• CAS NO: 81863-45-8
• Molecular Formula: C₈H₁₁NO
• Molecular Weight: 137.18
• Product Categories: Amino Alcohols;Organic Building Blocks;Oxygen Compounds
• Mol File: 81863-45-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 107-109 °C(lit.)
• Boiling Point: 297.5 °C at 760 mmHg
• Flash Point: 133.7 °C
• Appearance: /
• Density: 1.126 g/cm³
• Vapor Pressure: 0.000605mmHg at 25°C
• Refractive Index: 1.601
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: soluble in Methanol
• PKA: 14.53±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-4-METHYLBENZYL ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-4-METHYLBENZYL ALCOHOL(81863-45-8)
• EPA Substance Registry System: 3-AMINO-4-METHYLBENZYL ALCOHOL(81863-45-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 81863-45-8(Hazardous Substances Data)

Usage

Uses

3-Amino-4-methylbenzyl alcohol was used in the preparation of 3-(acetyloxymethyl)-6-methylacetanilide.

InChI:InChI=1/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3

Upstream product

• 40870-59-5 (4-Methyl-3-nitro-phenyl)-methanol 
• 7356-11-8 4-methyl-3-nitro-benzoic acid methyl ester 
• 96-98-0 4-methyl-3-nitrobenzoic acid 
• 18595-18-1 3-amino-4-methyl benzoic acid methyl ester 
• 31680-07-6 4-methyl-3-nitrobenzaldehyde 

Downstream Products

• 309712-97-8 5-(tert-butyl-dimethyl-silanyloxymethyl)-2-methyl-phenylamine 
• 315188-34-2 5-(hydroxymethyl)-2-methylbenzonitrile 
• 1046488-83-8 C₂₈H₃₄N₂O₂ 
• 389091-74-1 5-(tert-butyl-dimethyl-silanyloxymethyl)-4-iodo-2-methyl-phenylamine 
• 90953-62-1 3-hydroxy-4-methylbenzyl alcohol 
• 1232505-86-0 (5-amino-2-chloro-4-methylphenyl)methanol 
• 1075215-76-7 2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]pyrimidin-4-amine 
• 1075215-77-8 2-chloro-N-[5-[(dimethyl-tert-butyl-silyl)oxymethyl]-2-methyl-phenyl]-N-methyl-pyrimidin-4-amine 
• 1051896-53-7 (3-((2-(3,5-dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol tosylate 
• 1051896-51-5 [3-[[2-[(3,5-dimorpholin-4-ylphenyl)amino]pyrimidin-4-yl]-methyl-amino]-4-methyl-phenyl]methanol besylate 

Relevant articles and documents

Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists

The P2X7 receptor is a promising target for the treatment of various diseases due to its significant role in inflammation and immune cell signaling. This work describes the design, synthesis, and in vitro evaluation of a series of novel derivatives bearing diverse scaffolds as potent P2X7 antagonists. Our approach was based on structural modifications of reported (adamantan-1-yl)methylbenzamides able to inhibit the receptor activation. The adamantane moieties and the amide bond were replaced, and the replacements were evaluated by a ligand-based pharmacophore model. The antagonistic potency of the synthesized analogues was assessed by two-electrode voltage clamp experiments, using Xenopus laevis oocytes that express the human P2X7 receptor. SAR studies suggested that the replacement of the adamantane ring by an aryl-cyclohexyl moiety afforded the most potent antagonists against the activation of the P2X7 cation channel, with analogue 2-chloro-N-[1-(3-(nitrooxymethyl)phenyl)cyclohexyl)methyl]benzamide (56) exhibiting the best potency with an IC50 value of 0.39 μΜ.

Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-bicyclic arginine surrogates

Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P4-aromatics and P2-P3-heterocyclic dipeptide surrogates with weakly basic (calcd pKa ～non-basic - 8.6) bicyclic P1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 featuring P1-indazoles, benzimidazoles, indoles, benzotriazoles, and aminobenzisoxazoles is disclosed.

The Chemistry of Indoles. XXXII. A Facile Synthetic Method for 6-Indolecarbaldehyde, 6-Indolemethanol, and 6-Substituted 1-Hydroxyindoles and Its Application for the Synthesis of a Natural Alkaloid, (E)-6-(3-Methylbuta-1,3-dienyl)indole

Trivalent titanium ion can reduce arylaldehydes, and the reaction is controllable by selecting the pH of the reaction medium.Utilizing this new finding, 6-indolecarbaldehyde and 6-indolemethanol were conveniently produced by the modified Leimgruber-Batcho method with titanium(III) chloride as the reducing agent.Syntheses of a natural alkaloid, (E)-6-(3-methylbuta-1,3-dienyl)indole, and some new 6-substituted 1-hydroxyindoles are also reported.Keywords-titanium(III) chloride; 6-indolecarbaldehyde; 6-indolemethanol; (E)-6-(3-methylbuta-1,3-dienyl)indole; (Z)-6-(3-methylbuta-1,3-dienyl)indole; 1-hydroxy-6-indolecarbaldehyde; 1-methoxy-6-indolecerbaldehyde; 1-acetoxy-6-indolecarbaldehyde; Leimgruber-Batcho method; reduction