3-Methoxy-N-methylbenzylamine

Base Information

• Chemical Name: 3-Methoxy-N-methylbenzylamine
• CAS No.: 41789-95-1
• Molecular Formula: C9H13NO
• Molecular Weight: 151.208
• Hs Code.: 2922299090
• European Community (EC) Number: 627-600-0
• DSSTox Substance ID: DTXSID90408899
• Nikkaji Number: J2.696.461J
• Wikidata: Q72490386
• Mol file: 41789-95-1.mol

Synonyms:3-Methoxy-N-methylbenzylamine;41789-95-1;1-(3-methoxyphenyl)-N-methylmethanamine;N-methyl-3-methoxybenzylamine;1-(3-methoxyphenyl)-N-methyl-methanamine;MFCD04618244;N-(3-methoxybenzyl)-N-methylamine;(3-Methoxyphenyl)-N-MethylMethanaMine;[(3-methoxyphenyl)methyl](methyl)amine;3-METHOXY-N-METHYLBENZYLAMINE 97;(3-methoxybenzyl)methyl amine;SCHEMBL297410;N-methyl-3-methoxy-benzylamine;?3-Methoxy-N-methylbenzylamine;(3-methoxy-benzyl)-methyl-amine;DTXSID90408899;FIFKRPFWLHBMHL-UHFFFAOYSA-N;CS-D0558;3-Methoxy-N-methylbenzylamine, 97%;CL9414;AKOS001039166;SB76290;DS-16603;FT-0683710;EN300-06971;A873004;Z56939284

Chemical Property of 3-Methoxy-N-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Refractive Index: n20/D 1.5290(lit.)
• Boiling Point: 130-133 °C (28 mmHg)
• PKA: 9.65±0.10(Predicted)
• Flash Point: 100 °C
• PSA: 21.26000
• Density: 1.014 g/cm³
• LogP: 1.80550
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: Soluble in chloroform, dichloromethane, ethyl acetate and methan
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

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

3-Methoxy-N-methylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNCC1=CC(=CC=C1)OC
• Uses: Intermediate in the synthesis of Diclofensine Hydrochloride 3-Methoxy-N-methylbenzylamine is used as an intermediate in the synthesis of diclofensine hydrochloride.

Technology Process of 3-Methoxy-N-methylbenzylamine

There total 11 articles about 3-Methoxy-N-methylbenzylamine 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: 100.0%

N-(3-methoxybenzylidene)methanamine (16928-30-6) → 1-(3-methoxyphenyl)-N-methylmethanamine (41789-95-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2006.09.026

Reference yield: 100.0%

3-methoxy-benzaldehyde (591-31-1) + methylamine (74-89-5) → 1-(3-methoxyphenyl)-N-methylmethanamine (41789-95-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; at 0 ℃; for 2h;

Reference yield: 91.0%

1-bromomethyl-3-methoxybenzene (874-98-6) + methylamine (74-89-5) → 1-(3-methoxyphenyl)-N-methylmethanamine (41789-95-1)

Guidance literature:

In ethanol; for 6h; Heating;

DOI:10.1021/jm00151a006

upstream raw materials:

methylamine hydrochloride

3-methoxy-benzaldehyde

methylamine

1-bromomethyl-3-methoxybenzene

Downstream raw materials:

(3-methoxy-benzyl)-(4-methoxy-benzyl)-methyl-amine

C₁₉H₁₉NO₂S

C₂₀H₂₆BrN₃O₃

C₂₁H₂₉BrN₄O₂

Refernces

• 1、 Jiménez, Jacqueline,Kim, Byeong-Seon,Walsh, Patrick J.. "Tandem C(sp3)?H Arylation/Oxidation and Arylation/Allylic Substitution of Isoindolinones". supporting information. p. 2829 - 2837. Retrieved 2016/09/13.
• 2、 Adachi, Satoshi,Onozuka, Masao,Yoshida, Yuko,Ide, Mitsuaki,Saikawa, Yoko,Nakata, Masaya. "Smooth isoindolinone formation from isopropyl carbamates via bischler-napieralski-type cyclization". supporting information. p. 358 - 361. Retrieved 2014/04/03.