4-(Dimethoxymethyl)benzyl alcohol

Base Information

• Chemical Name: 4-(Dimethoxymethyl)benzyl alcohol
• CAS No.: 183057-64-9
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• Hs Code.: 2909499000
• European Community (EC) Number: 627-247-2
• DSSTox Substance ID: DTXSID50392068
• Nikkaji Number: J3.255.839I
• Wikidata: Q72485045
• Mol file: 183057-64-9.mol

Synonyms:183057-64-9;4-(Dimethoxymethyl)benzyl alcohol;4-(Hydroxymethyl)benzaldehyde dimethyl acetal;(4-(Dimethoxymethyl)phenyl)methanol;[4-(dimethoxymethyl)phenyl]methanol;4-(Hydroxymethyl)benzaldehydedimethylacetal;SCHEMBL2938648;4-dimethoxymethyl benzyl alcohol;DTXSID50392068;QUWDMLYTJRQRRO-UHFFFAOYSA-N;MFCD01863763;AKOS022173713;AM83074;SB84145;4-Hydroxymethylbenzaldehyd dimethylacetal;AS-40410;FT-0643755;A812742;J-011717;4-(Hydroxymethyl)benzaldehyde dimethyl acetal, >=97.0% (GC)

Chemical Property of 4-(Dimethoxymethyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.00611mmHg at 25°C
• Melting Point: 38-42 °C
• Refractive Index: 1.518
• Boiling Point: 261℃
• PKA: 14.32±0.10(Predicted)
• Flash Point: 112℃
• PSA: 38.69000
• Density: 1.097
• LogP: 1.47030
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

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

4-(Dimethoxymethyl)benzylAlcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(C1=CC=C(C=C1)CO)OC
• Uses: 4-(Hydroxymethyl)benzaldehyde dimethyl acetal was used in the synthesis of 5′-O-TBDPS-2′,3′-O-(4-hydroxymethyl-(1R)-benzyliden)-inosine.

Technology Process of 4-(Dimethoxymethyl)benzyl alcohol

There total 4 articles about 4-(Dimethoxymethyl)benzyl alcohol 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: 95.0%

methyl 4-(dimethoxymethyl)benzoate (42228-16-0) → 4-(hydroxymethyl)benzaldehyde dimethyl acetal (183057-64-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1002/hlca.19960790621

Reference yield: 81.0%

(+/-)-4-(3,4,5,6-tetrahydro-2H-pyran-2-yloxymethyl)benzaldehyde (187682-10-6) + trimethyl orthoformate (149-73-5) → 4-(hydroxymethyl)benzaldehyde dimethyl acetal (183057-64-9) + 4-(perhydro-2H-pyran-2-yloxymethyl)benzaldehyde dimethyl acetal

Guidance literature:

With lithium tetrafluoroborate; In methanol; at 40 ℃; for 9h;

DOI:10.1055/s-2004-820038

Reference yield:

NaHCO5 + water (7732-18-5) + 4-Carboxybenzaldehyde (619-66-9) + triethylamine (121-44-8) + 2,2-dimethoxy-propane (77-76-9) → 4-(hydroxymethyl)benzaldehyde dimethyl acetal (183057-64-9)

Guidance literature:

With hydrogenchloride; LiAlH₄; p-TsOH_.H₂ O; In tetrahydrofuran; methanol; diethyl ether;

upstream raw materials:

methyl 4-(dimethoxymethyl)benzoate

(+/-)-4-(3,4,5,6-tetrahydro-2H-pyran-2-yloxymethyl)benzaldehyde

trimethyl orthoformate

methyl 4-formylbenzoate

Downstream raw materials:

4-chloromethylbenzaldehyde

4-chloro-2-[(4-formylbenzyl)oxy]-N-phenylbenzenesulfonamide

(2S,3R)-3-[(3aR,4S,6R,7S,7aR)-7-Benzyloxy-2-(4-hydroxymethyl-phenyl)-4-methyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yloxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid allyl ester

Benzoic acid 4-dimethoxymethyl-benzyl ester

Refernces

• 1、 -. "Fuopeptide mimetics". . . Retrieved 2008/06/13.