p-Anisaldehyde-|A-d1

Base Information

• Chemical Name: p-Anisaldehyde-|A-d1
• CAS No.: 19486-71-6
• Molecular Formula: C8H7 D O2
• Molecular Weight: 137.142
• European Community (EC) Number: 686-084-5
• DSSTox Substance ID: DTXSID40460063
• Nikkaji Number: J1.249.714H
• Wikidata: Q82283974
• Mol file: 19486-71-6.mol

Synonyms:p-Anisaldehyde-|A-d1;19486-71-6;deuterio-(4-methoxyphenyl)methanone;4-Methoxybenzaldehyde-alpha-d1;4-Methoxybenzaldehyde-d1;HY-Y0740S;DTXSID40460063;CS-0567914;4-Methoxybenzaldehyde-alpha-d1, 98 atom % D;D98577

Chemical Property of p-Anisaldehyde-|A-d1

Chemical Property:

• Boiling Point: 248℃(lit.)
• Flash Point: 228℉
• PSA: 26.30000
• Density: 1.127g/mLat25℃
• LogP: 1.50770
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.058706240
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98% atom D ^*data from raw suppliers

4-Methoxybenzaldehyde-α-d1 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=O
• Isomeric SMILES: [2H]C(=O)C1=CC=C(C=C1)OC
• Uses: 4-Methoxybenzaldehyde-alpha-d1 (CAS# 19486-71-6) is a useful isotopically labeled research compound.

Technology Process of p-Anisaldehyde-|A-d1

There total 35 articles about p-Anisaldehyde-|A-d1 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: 99.0%

4-methoxy-benzaldehyde (123-11-5) → p-methoxybenzaldehyde-d1 (19486-71-6)

Guidance literature:

With tetrakis(tetrabutylammonium)decatungstate(VI); 2,4,6-Triisopropylthiophenol; water-d2; In acetonitrile; for 4h; Irradiation;

DOI:10.1039/d0sc02661a

Reference yield: 99.0%

4-methoxy-N,N-diethylbenzamide (7465-86-3) → p-methoxybenzaldehyde-d1 (19486-71-6)

Guidance literature:

With bis(η5-cyclopentadienyl)chlorozirconium deuteride; In tetrahydrofuran; at 20 ℃; for 0.25h;

DOI:10.1021/ja066362+

Reference yield: 98.0%

2-Deuterio-2-(4-methoxyphenyl)-1,3-dithian (99121-27-4) → p-methoxybenzaldehyde-d1 (19486-71-6)

Guidance literature:

With antimonypentachloride; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1016/0040-4039(91)80123-N

upstream raw materials:

1-<²H>-1-(4-methoxyphenyl)-1-morpholinoacetonitrile

2-Deuterio-2-(4-methoxyphenyl)-1,3-benzodithiol

p-methoxyphenylmethanol-1,1-d2

p-methoxytoluene-α,α,α-d3

Downstream raw materials:

(S)-[α-(2)H]-p-methoxybenzyl alcohol

C₁₇H₁₂⁽²⁾HNO₂

(R)-(-)-4-methoxybenzyl-α-d chloride

p-methoxyphenylmethanol-1,1-d2

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