3-Benzyloxybenzaldehyde

Base Information

• Chemical Name: 3-Benzyloxybenzaldehyde
• CAS No.: 1700-37-4
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 29124990
• European Community (EC) Number: 216-932-8
• NSC Number: 17152
• UNII: K1S6OB2GNN
• DSSTox Substance ID: DTXSID30168783
• Nikkaji Number: J203.087J
• Wikidata: Q72441757
• ChEMBL ID: CHEMBL300575
• Mol file: 1700-37-4.mol

Synonyms:3-Benzyloxybenzaldehyde;1700-37-4;3-(benzyloxy)benzaldehyde;Benzaldehyde, 3-(phenylmethoxy)-;m-Benzyloxybenzaldehyde;Benzaldehyde, m-(benzyloxy)-;MFCD00003367;3-phenylmethoxybenzaldehyde;3-Benzyloxy-benzaldehyde;K1S6OB2GNN;3-benzyloxybenzaldehyde98%;EINECS 216-932-8;NSC-17152;3-(phenylmethoxy)benzaldehyde;NSC17152;UNII-K1S6OB2GNN;Benzyl 3-formylphenyl ether;SCHEMBL314161;3-Benzyloxybenzaldehyde, 98%;CHEMBL300575;DTXSID30168783;3-[(Phenylmethyl)oxy]benzaldehyde;BCP21831;STR06307;AB6262;BBL023099;NSC 17152;STK200417;AKOS000120403;AB00324;AM10785;CS-W015008;BP-12092;SY007532;B2400;BB 0217901;FT-0615102;EN300-15523;J-511764;Z26383730;F1997-0011;3-(benzyloxy)benzaldehyde pound>>m-Benzyloxybenzaldehyde pound>>Benzaldehyde, 3-(phenylmethoxy)-

Chemical Property of 3-Benzyloxybenzaldehyde

Chemical Property:

• Appearance/Colour: White to light beige fine crystalline powder
• Vapor Pressure: 2.54E-05mmHg at 25°C
• Melting Point: 56-58 °C(lit.)
• Refractive Index: 1.607
• Boiling Point: 358.5 °C at 760 mmHg
• Flash Point: 164.9 °C
• PSA: 26.30000
• Density: 1.142 g/cm³
• LogP: 3.07810
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water 38.87 mg/L @ 25°C.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

99% min ^*data from raw suppliers

3-Benzyloxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O
• Uses: 3-Benzyloxybenzaldehyde is used as a pharmaceutical intermediate. It activates the adenyl cyclase.

Technology Process of 3-Benzyloxybenzaldehyde

There total 20 articles about 3-Benzyloxybenzaldehyde 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%

→ 3-Benzyloxybenzaldehyde (1700-37-4)

Guidance literature:

Reference yield: 100.0%

benzyl bromide (100-39-0) + meta-hydroxybenzaldehyde (100-83-4) → 3-Benzyloxybenzaldehyde (1700-37-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 12h;

DOI:10.1021/ja00097a072

Reference yield: 98.5%

(3-(benzyloxy)phenyl)methanol (1700-30-7) → 3-Benzyloxybenzaldehyde (1700-37-4)

Guidance literature:

With potassium permanganate; zirconium(IV) oxychloride; In tetrahydrofuran; at 20 ℃; for 8h; ultrasonification;

DOI:10.1002/ardp.200600146

upstream raw materials:

benzyl chloride

meta-hydroxybenzaldehyde

benzyl bromide

(3-(benzyloxy)phenyl)methanol

Downstream raw materials:

4-((Z)-3-benzyloxy-benzylidene)-2-phenyl-4H-oxazol-5-one

<3-(benzyloxy)phenyl>thiazol-2-ylmethanol

3-<<3-(benzyloxy)phenyl>hydroxymethyl>pyridine

1-[3-(phenylmethoxy)phenyl]undecanol

Refernces

• 1、 He, Xun,Chan, Tak Hang. "New non-volatile and odorless organosulfur compounds anchored on ionic liquids. Recyclable reagents for Swern oxidation". . p. 3389 - 3394. Retrieved 2006.
• 2、 Manivannan, Elangovan,Amawi, Haneen,Hussein, Noor,Karthikeyan, Chandrabose,Fetcenko, Aubry,Narayana Moorthy, N.S. Hari,Trivedi, Piyush,Tiwari, Amit K.. "Design and discovery of silybin analogues as antiproliferative compounds using a ring disjunctive – Based, natural product lead optimization approach". . p. 365 - 378. Retrieved 2017.
• 3、 Liu, Wen-Shan,Wang, Rui-Rui,Yue, Hai,Zheng, Zhi-Hui,Lu, Xin-Hua,Wang, Shu-Qing,Dong, Wei-Li,Wang, Run-Ling. "Design, synthesis, biological evaluation and molecular dynamics studies of 4-thiazolinone derivatives as protein tyrosine phosphatase 1B (PTP1B) inhibitors". . p. 3814 - 3824. Retrieved 2020.
• 4、 Kaczor, Aneta,Szemerédi, Nikoletta,Kucwaj-Brysz, Katarzyna,D?browska, Monika,Starek, Ma?gorzata,Latacz, Gniewomir,Spengler, Gabriella,Handzlik, Jadwiga. "Computer-Aided Search for 5-Arylideneimidazolone Anticancer Agents Able To Overcome ABCB1-Based Multidrug Resistance". . p. 2386 - 2401. Retrieved 2021/06/14.
• 5、 Chen, Hekai,Kong, Jun,Li, Tian,Xu, Qun,Yin, Hang,Zhang, Liwei. "Design and optimisation of a small-molecule TLR2/4 antagonist for anti-tumour therapy". supporting information. p. 1771 - 1779. Retrieved 2021/11/19.