(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol

Base Information

• Chemical Name: (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol
• CAS No.: 141103-94-8
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID90576406
• Wikidata: Q82466082
• Mol file: 141103-94-8.mol

Synonyms:141103-94-8;(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol;(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol;2H-1,4-Benzoxazine-7-methanol, 3,4-dihydro-4-methyl-;DTXSID90576406;AKOS006293255

Chemical Property of (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol

Chemical Property:

• PSA: 32.70000
• LogP: 1.07250
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCOC2=C1C=CC(=C2)CO

Technology Process of (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanol

There total 4 articles about (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)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:

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde (141103-93-7) → (4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanol (141103-94-8)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1039/c39920000404

Reference yield:

benzoxazole (273-53-0,29791-96-6) → (4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanol (141103-94-8)

Guidance literature:

Multi-step reaction with 4 steps

1: NaBH₄, AcOH

2: K₂CO₃

3: POCl₃

4: NaBH₄

With sodium tetrahydroborate; potassium carbonate; acetic acid; trichlorophosphate;

DOI:10.1039/c39920000404

Reference yield:

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine (77901-22-5) → (4-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-methanol (141103-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: NaBH₄

With sodium tetrahydroborate; trichlorophosphate;

DOI:10.1039/c39920000404

upstream raw materials:

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde

benzoxazole

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine

o-(N-methylamino)phenol

Downstream raw materials:

(1R,6S,8R,10S)-8-benzyloxy-10-methoxymethoxy-3,3-dimethyl-2,4-dioxabicyclo<4.4.0>decane

(1R,2S,4R,6S)-4-Benzyloxy-2-((Z)-3-hydroxy-propenyl)-6-methoxymethoxy-cyclohexanol

(1S,3R,4S,5R)-5-benzyloxy-3-hydroxymethyl-1-methoxymethoxy-2-(triethylsilyloxy)cyclohexane

(4aS,6R,8S,8aR)-6-Benzyloxy-8-methoxymethoxy-4a,5,6,7,8,8a-hexahydro-chromen-2-one