3-[(Dimethylamino)methyl]phenol hydrobromide

Base Information

• Chemical Name: 3-[(Dimethylamino)methyl]phenol hydrobromide
• CAS No.: 61186-04-7
• Molecular Formula: C9H13NO.BrH
• Molecular Weight: 232.11800
• DSSTox Substance ID: DTXSID70510141
• Mol file: 61186-04-7.mol

Synonyms:61186-04-7;3-[(dimethylamino)methyl]phenol hydrobromide;3-((Dimethylamino)methyl)phenol hydrobromide;3-[(dimethylamino)methyl]phenol;hydrobromide;starbld0012975;DTXSID70510141;MFCD27960178;AKOS016353626;NS-03014;3-[(Dimethylamino)methyl]phenol--hydrogen bromide (1/1)

Chemical Property of 3-[(Dimethylamino)methyl]phenol hydrobromide

Chemical Property:

• Melting Point: 132-134 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7))
• PSA: 23.47000
• LogP: 2.41190
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.02588
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC(=CC=C1)O.Br

Technology Process of 3-[(Dimethylamino)methyl]phenol hydrobromide

There total 2 articles about 3-[(Dimethylamino)methyl]phenol hydrobromide 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: 82.0%

N,N-dimethyl-3-methoxybenzylamine (15184-99-3) → 3-Dimethylaminomethyl-phenol; hydrobromide (61186-04-7)

Guidance literature:

With hydrogen bromide; acetic acid; for 24h; Heating;

DOI:10.1021/jm00388a028

Reference yield:

3-methoxy-benzaldehyde (591-31-1) → 3-Dimethylaminomethyl-phenol; hydrobromide (61186-04-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) H₂ / 2.) 5percent Pd/C / 1.) water, EtOH, 40 deg C, 4 h, 2.) water, EtOH, 60 psi, 16 h

2: 82 percent / HOAc, 48percent aq. HBr / 24 h / Heating

With hydrogen bromide; hydrogen; acetic acid; palladium on activated charcoal;

DOI:10.1021/jm00388a028

Reference yield:

3-Dimethylaminomethyl-phenol; hydrobromide (61186-04-7) + acetyl chloride (75-36-5) → Acetic acid 3-dimethylaminomethyl-phenyl ester

Guidance literature:

With pyridine; dmap; In dichloromethane; for 2h;

DOI:10.1021/jm00388a028

upstream raw materials:

N,N-dimethyl-3-methoxybenzylamine

3-methoxy-benzaldehyde

Refernces