3-(Benzyloxy)cyclobutanecarboxylic acid

Base Information

• Chemical Name: 3-(Benzyloxy)cyclobutanecarboxylic acid
• CAS No.: 4958-02-5
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Hs Code.: 2918990090
• European Community (EC) Number: 827-533-9
• DSSTox Substance ID: DTXSID00964279,DTXSID001232666,DTXSID601242722
• Mol file: 4958-02-5.mol

Synonyms:4958-02-5;3-(benzyloxy)cyclobutanecarboxylic acid;3-Benzyloxy-cyclobutanecarboxylic acid;84182-48-9;84182-47-8;3-Benzyloxycyclobutanecarboxylic acid;cis-3-(Benzyloxy)cyclobutanecarboxylic acid;trans-3-(Benzyloxy)cyclobutanecarboxylic acid;trans-3-Benzyloxycyclobutanecarboxylic acid;cis-3-Benzyloxycyclobutanecarboxylic acid;3-(benzyloxy)cyclobutane-1-carboxylic acid;Cyclobutanecarboxylic acid, 3-(phenylmethoxy)-;trans-3-Phenylmethoxy-1-cyclobutanecarboxylic acid;3-phenylmethoxycyclobutane-1-carboxylic acid;cis-3-Phenylmethoxy-1-cyclobutanecarboxylic acid;MFCD00512751;MFCD16038556;Methoxyammoniumchloride;Cyclobutanecarboxylic acid, 3-(phenylmethoxy)-, trans-;3-phenylmethoxy-1-cyclobutanecarboxylic acid;Cyclobutanecarboxylicacid,3-(phenylmethoxy)-,cis-;Cyclobutanecarboxylicacid,3-(phenylmethoxy)-,trans-;SCHEMBL582677;SCHEMBL871908;(1s,3s)-3-(benzyloxy)cyclobutane-1-carboxylic acid;SCHEMBL8347290;SCHEMBL9064837;Benzyloxycyclobutanecarboxylicacid;DTXSID00964279;YNNOFVDQHAHVFG-UHFFFAOYSA-N;DTXSID001232666;DTXSID601242722;BCP10475;3-benzyloxy-cyclobutancarboxylic acid;3-(benzyloxy)cyclobutanecarboxylicacid;AKOS000282893;AKOS015995235;AKOS015995269;3-(benzyloxy)cyclobutanecarboxylic?acid;CS-W008932;GS-6673;PB13666;PB15694;PB16619;3-Benzyloxy-1-Cyclobutanecarboxylic Acid;AS-65683;AS-79274;SY018085;SY270251;AM20040562;CS-0053984;CS-0053985;FT-0682038;EN300-84029;cis-3-(Phenylmethoxy)cyclobutanecarboxylic acid;P11845;P11846;trans-3-(Phenylmethoxy)cyclobutanecarboxylic acid;A840730;A840731;J-520135;J-520136;W-204287;Z1250076635;3-Benzyloxycyclobutanecarboxylic Acid

Chemical Property of 3-(Benzyloxy)cyclobutanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.562
• Boiling Point: 352.675 °C at 760 mmHg
• PKA: 4.48±0.40(Predicted)
• Flash Point: 136.744 °C
• PSA: 46.53000
• Density: 1.199 g/cm³
• LogP: 2.06640
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.094294304
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

3-Benzyloxycyclobutanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1OCC2=CC=CC=C2)C(=O)O
• Uses: 3-Benzyloxycyclobutanecarboxylic acid is a useful building block for organic synthesis.

Technology Process of 3-(Benzyloxy)cyclobutanecarboxylic acid

There total 10 articles about 3-(Benzyloxy)cyclobutanecarboxylic acid 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%

3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid (84182-46-7) → 3-(benzyloxy)cyclobutane-1-carboxylic acid (4958-02-5)

Guidance literature:

With pyridine; at 120 ℃; for 12h;

Reference yield:

methylester of 3-benzyloxycyclobutane-1-carboxylic acid (4934-98-9) → 3-(benzyloxy)cyclobutane-1-carboxylic acid (4958-02-5)

Guidance literature:

With lithium hydroxide monohydrate; In methanol; water; at 15 ℃; for 16h;

Reference yield:

dipropan-2-yl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate (869109-30-8) → 3-(benzyloxy)cyclobutane-1-carboxylic acid (4958-02-5)

Guidance literature:

dipropan-2-yl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate; With methanol; sodium hydroxide; water; Heating / reflux;

With hydrogenchloride; methanol; water;

at 200 ℃; for 1h;

upstream raw materials:

3-(benzyloxy)cyclobutane-1,1-dicarboxylic acid

diisoamyl 3-benzyloxycyclobutane-1,1-dicarboxylate

1-bromo-2-benzyloxy-3-chloropropane

diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate

Downstream raw materials:

3-benzyloxy-cyclobutanecarboxylic acid amide

methylester of 3-benzyloxycyclobutane-1-carboxylic acid

3-(benzyloxy)cyclobutane-1-carbonyl chloride

3-(benzyloxy)cyclobutane-1-methanol