4-Benzyloxybenzyl chloride

Base Information

• Chemical Name: 4-Benzyloxybenzyl chloride
• CAS No.: 836-42-0
• Molecular Formula: C14H13ClO
• Molecular Weight: 232.71
• Hs Code.: 2909309090
• NSC Number: 131670
• UNII: S2XM7MMW4S
• DSSTox Substance ID: DTXSID40232449
• Nikkaji Number: J195.109B
• Wikidata: Q72441792
• Mol file: 836-42-0.mol

Synonyms:4-(Benzyloxy)benzyl chloride;836-42-0;4-Benzyloxybenzyl chloride;1-(Benzyloxy)-4-(chloromethyl)benzene;Benzene, 1-(chloromethyl)-4-(phenylmethoxy)-;1-(chloromethyl)-4-phenylmethoxybenzene;S2XM7MMW4S;EINECS 212-648-3;NSC-131670;1-(benzyloxy)-4-(chloromethyl) benzene;benzyl 4-(chloromethyl)phenyl ether;4-(Benzyloxy)benzylchloride;BaccatinIII;NSC131670;UNII-S2XM7MMW4S;SCHEMBL703;4-benzyloxy-benzyl chloride;4-chloromethyl-|A-phenylanisole;1-chloromethyl-4-benzoxy-benzene;4-benzyloxy-1-chloromethylbenzene;DTXSID40232449;1-benzyloxy-4-chloromethyl-benzene;1-chloromethyl-4-benzyloxy-benzene;P-(BENZYLOXY)BENZYL CHLORIDE;4-(Benzyloxy)benzyl chloride, 97%;4-Chloromethyl-.alpha.-phenylanisole;MFCD00000916;AKOS000262128;Ether, benzyl .alpha.-chloro-p-tolyl;1-(chloromethyl)-4-(benzyloxy)benzene;AB10241;NSC 131670;BS-43779;1-(Benzyloxy)-4-(chloromethyl)benzene #;B5121;CS-0058760;FT-0659568;EN300-235634;1-(CHLOROMETHYL)-4-(PHENYLMETHOXY)BENZENE;A840619;J-015321;F2158-0083;[1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid

Chemical Property of 4-Benzyloxybenzyl chloride

Chemical Property:

• Appearance/Colour: A white or off-white crystalline powder
• Vapor Pressure: 0.000721mmHg at 25°C
• Melting Point: 77-79 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 355.7 °C at 760 mmHg
• Flash Point: 168.5 °C
• PSA: 9.23000
• Density: 1.152 g/cm³
• LogP: 4.00440
• Storage Temp.: 2-8°C
• Solubility.: soluble in Toluene
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 232.0654927
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

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

4-(Benzyloxy)benzyl Chloride >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCl

Technology Process of 4-Benzyloxybenzyl chloride

There total 18 articles about 4-Benzyloxybenzyl chloride 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: 98.0%

4-benzyloxybenzyl alcohol (836-43-1) → 4-benzyloxybenzyl chloride (836-42-0)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/ja036011k

Reference yield: 65.0%

p-benzyloxybenzaldehyde (4397-53-9) → 4-benzyloxybenzyl chloride (836-42-0)

Guidance literature:

p-benzyloxybenzaldehyde; With methanol; sodium tetrahydroborate; for 1h;

With thionyl chloride; In dichloromethane; for 20h;

DOI:10.1039/c4cc09487e

Reference yield: 57.0%

1-((allyloxy)methyl)-4-(benzyloxy)benzene → 4-methylphenyl benzyl ether (834-25-3) + 4-benzyloxybenzyl alcohol (836-43-1) + 4-benzyloxybenzyl chloride (836-42-0)

Guidance literature:

With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1021/ol062963u

upstream raw materials:

4-benzyloxybenzyl alcohol

(4-hydroxyphenyl)methanol

benzyl bromide

p-benzyloxybenzaldehyde

Downstream raw materials:

ethyl 4-({[4-(benzyloxy)phenyl]methyl}amino)benzoate

2-[4-(benzyloxy)phenyl]acetonitrile

2-(4-benzyloxybenzyl)-1,3-dithian

2-(((4-Benzyloxy)benzyl)thio)-1-methylpyridinium chloride

Refernces

• 1、 Wang, Qi,Cheng, Ming,Xiong, Shuhan,Hu, Xiao-Yu,Jiang, Juli,Wang, Leyong,Pan, Yi. "PO functional group-containing cryptands: From supramolecular complexes to poly[2]pseudorotaxanes". . p. 2667 - 2670. Retrieved 2015.
• 2、 Jin, Youxiang,Yang, Haobo,Wang, Chuan. "Nickel-Catalyzed Asymmetric Reductive Arylbenzylation of Unactivated Alkenes". supporting information. p. 2724 - 2729. Retrieved 2020/04/02.