[3-(Dimethylamino)phenyl]methanol

Base Information

• Chemical Name: [3-(Dimethylamino)phenyl]methanol
• CAS No.: 23501-93-1
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• Hs Code.: 2922199090
• European Community (EC) Number: 245-700-9
• DSSTox Substance ID: DTXSID70178068
• Nikkaji Number: J133.618E
• Wikidata: Q83048399
• Mol file: 23501-93-1.mol

Synonyms:23501-93-1;3-Dimethylaminobenzyl alcohol;[3-(Dimethylamino)phenyl]methanol;3-(Dimethylamino)benzyl alcohol;(3-(Dimethylamino)phenyl)methanol;m-(Dimethylamino)benzyl alcohol;Benzenemethanol, 3-(dimethylamino)-;Benzyl alcohol, m-(dimethylamino)-;EINECS 245-700-9;m-dimethylaminobenzyl alcohol;3-(Dimethylaminobenzyl)alcohol;3-Dimethylaminobenzylalcohol;SCHEMBL27332;(3(dimethylamino)phenyl)methanol;DAlc2-H_000041;3-Dimethylaminohydroxymethylbenzol;DTXSID70178068;(3-Dimethylamino-phenyl)-methanol;AMY41817;[3-(Dimethylamino)phenyl]methanol #;MFCD00017342;AKOS009157536;3-(Dimethylamino)benzyl alcohol, 97%;FS-1187;SB76292;CS-0204383;FT-0638331;EN300-84557;J-015130

Chemical Property of [3-(Dimethylamino)phenyl]methanol

Chemical Property:

• Refractive Index: n20/D 1.577(lit.)
• Boiling Point: 282.9°Cat760mmHg
• PKA: 14.49±0.10(Predicted)
• Flash Point: 145.5°C
• PSA: 23.47000
• Density: 1.07g/cm³
• LogP: 1.24490
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

98%,99%, ^*data from raw suppliers

[3-(Dimethylamino)phenyl]methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=CC(=C1)CO
• Uses: 3-(Dimethylamino)benzyl alcohol may be used in the preparation of (3-hydroxymethylphenyl)trimethylammonium iodide by reacting with methyl iodide.

Technology Process of [3-(Dimethylamino)phenyl]methanol

There total 9 articles about [3-(Dimethylamino)phenyl]methanol 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: 97.0%

3-(dimethylamino)benzoic acid (99-64-9) → 3-dimethylaminobenzyl alcohol (23501-93-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.joc.7b00927

Reference yield: 95.0%

m-dimethylaminobenzoic acid ethyl ester (16518-65-3) → 3-dimethylaminobenzyl alcohol (23501-93-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -78 - 20 ℃;

DOI:10.1002/bkcs.10047

Reference yield: 92.0%

3-(dimethylamino)benzoic acid methyl ester (16518-64-2) → 3-dimethylaminobenzyl alcohol (23501-93-1)

Guidance literature:

With hydrogen; sodium methylate; dichloro-bis-[2-(diphenylphosphino)ethylamine]ruthenium; In tetrahydrofuran; at 100 ℃; for 2.5h; under 37503.8 Torr; Product distribution / selectivity;

upstream raw materials:

3-(dimethylamino)benzoic acid methyl ester

3-(methoxycarbonyl)-N,N,N-trimethylbenzenaminium iodide

O²-(3-(dimethylamino)benzyl)-1-(N,N-diethylamino)-diazen-1-ium-1,2-diolate

3-(dimethylamino)benzoic acid

Downstream raw materials:

2-iodo-5-(N,N-dimethylamino)benzaldehyde

C₂₄H₂₅N₃O₅S

2-chloro-4-{{[3-(dimethylamino)phenyl]methyl} [(3S)-1-(2-thienyImethyl)-3-pyrrolidinyl]amino} benzonitrile

5-(N,N-dimethylamino)-2-bromobenzyl alcohol

Refernces

• 1、 Ong, Derek Yiren,Yen, Zhihao,Yoshii, Asami,Revillo Imbernon, Julia,Takita, Ryo,Chiba, Shunsuke. "Controlled Reduction of Carboxamides to Alcohols or Amines by Zinc Hydrides". supporting information. p. 4992 - 4997. Retrieved 2019/03/13.
• 2、 Ding, Xiong,Devalankar, Dattatray A.,Wang, Pengfei. "Structurally Simple Benzylidene-Type Photolabile Diol Protecting Groups". supporting information. p. 5396 - 5399. Retrieved 2016/11/06.