CID 11745412

Base Information

• Chemical Name: CID 11745412
• CAS No.: 7149-10-2
• Molecular Formula: C8H12ClNO2
• Molecular Weight: 189.642
• Hs Code.: 29214990
• Mol file: 7149-10-2.mol

Synonyms:SCHEMBL9950868

Chemical Property of CID 11745412

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 219-221 °C (dec.)(lit.)
• Boiling Point: 292.9 °C at 760 mmHg
• Flash Point: 130.9 °C
• PSA: 55.48000
• LogP: 2.36180
• Storage Temp.: Refrigerator
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.0556563
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

99% ,99.9%, ^*data from raw suppliers

4-(Aminomethyl)-2-methoxyphenol Hydrochloride >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C[NH3+])O.[Cl-]
• Uses: A metabolite of Capsaicin A metabolite of Capsaicin.

Technology Process of CID 11745412

There total 5 articles about CID 11745412 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%

vanillin oxime (2874-33-1) → vanillylamine hydrochloride (7149-10-2)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/j.polymer.2011.02.046

Reference yield: 74.0%

(E)-4-hydroxy-3-methoxybenzaldehyde oxime (134283-49-1) → vanillylamine hydrochloride (7149-10-2)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1021/acs.jmedchem.8b00734

Reference yield: 53.4%

vanillin (121-33-5,8014-42-4) → vanillylamine hydrochloride (7149-10-2)

Guidance literature:

vanillin; With pyridoxal 5'-phosphate; ω-transaminase from Bacillus megaterium; isopropylamine; for 24h; Enzymatic reaction;

With hydrogenchloride; In diethyl ether; Reagent/catalyst;

DOI:10.1002/adsc.202100997

upstream raw materials:

vanillin oxime

4-hydroxy-3-methoxybenzaldehyde O-methyloxime

vanillin

(E)-4-hydroxy-3-methoxybenzaldehyde oxime

Downstream raw materials:

vanillyl isothiocyanate

vanillin

arvanil

N-Vanillyloctadecanamide

Refernces

• 1、 Ignatov,Varakutin,Solov’eva,Karmanova,Kozlov,Semenova,Semenov. "Efficient hydrogenation of benzaldoximes and Schiff bases on ceramic high-porosity palladium catalysts". . p. 1394 - 1400. Retrieved 2018/10/31.
• 2、 -. "Preparation method for vanillylamine hydrochloride". Paragraph 0017-0028. . Retrieved 2017/09/02.