1-Boc-piperidin-4-ylideneacetic acid

Base Information

• Chemical Name: 1-Boc-piperidin-4-ylideneacetic acid
• CAS No.: 193085-24-4
• Molecular Formula: C12H19NO4
• Molecular Weight: 241.287
• Hs Code.: 2933399090
• European Community (EC) Number: 663-685-0
• DSSTox Substance ID: DTXSID70443460
• Mol file: 193085-24-4.mol

Synonyms:193085-24-4;1-Boc-piperidin-4-ylideneacetic acid;1-boc-piperidin-4-ylidene-acetic acid;2-{1-[(tert-Butoxy)carbonyl]piperidin-4-ylidene}acetic acid;1-boc-4-carboxymethylene-piperidine;2-(1-BOC-piperidin-4-ylidene)acetic acid;2-(1-(tert-butoxycarbonyl)piperidin-4-ylidene)acetic acid;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]acetic acid;4-carboxymethylene-piperidine-1-carboxylic acid tert-butyl ester;MFCD04115019;(1-BOC-4-PIPERIDINYLIDENE)ACETIC ACID;1-boc-piperidin-4-ylidene avetic acid;1-Boc-Piperidin-4-Ylidene-AceticAcid;SCHEMBL2948300;[1-(tert-butoxycarbonyl)piperidin-4-ylidene]acetic acid;DTXSID70443460;PICPNXSVAVWVIC-UHFFFAOYSA-N;1-boc-piperidin-4-ylidene acetic acid;AKOS015838373;AB19465;CS-W012792;SS-4339;A4253;FT-0657984;(1-Boc-4-piperidinylidene)acetic acid, 98%;EN300-147665;Q-102996;2-(1-(tert-butyloxycarbonyl)piperidin-4-ylidene)acetic acid;2-(1-(tert-butyloxycarbonyl)piperidine-4-ylidene)acetic acid;4-Carboxymethylenepiperidine-1-carboxylic acid tert-butyl ester;1-BOC-PIPERIDIN-4-YLIDENE-ACETIC ACID

Chemical Property of 1-Boc-piperidin-4-ylideneacetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 386.951 °C at 760 mmHg
• Flash Point: 187.822 °C
• PSA: 66.84000
• Density: 1.228 g/cm³
• LogP: 1.96620
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.13140809
• Heavy Atom Count: 17
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

1-Boc-piperidin-4-ylidene-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(=CC(=O)O)CC1

Technology Process of 1-Boc-piperidin-4-ylideneacetic acid

There total 7 articles about 1-Boc-piperidin-4-ylideneacetic 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: 98.0%

tert-butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate (135716-08-4) → 4-carboxymethylenepiperidine-1-carboxylic acid tert-butyl ester (193085-24-4)

Guidance literature:

With sodium hydroxide; In methanol; at 25 ℃; for 0.5h;

DOI:10.1016/j.cclet.2012.04.020

Reference yield:

1-tert-butoxycarbonyl-4-[(methoxycarbonyl)methylene]piperidine (169206-65-9) → 4-carboxymethylenepiperidine-1-carboxylic acid tert-butyl ester (193085-24-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; for 20h;

Reference yield:

tert.butyl 1-tert.butyloxycarbonyl-Δ4,α-piperidineacetate (84839-55-4) → 4-carboxymethylenepiperidine-1-carboxylic acid tert-butyl ester (193085-24-4) + 4-carboxymethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester (817201-95-9)

Guidance literature:

tert.butyl 1-tert.butyloxycarbonyl-Δ^4,α-piperidineacetate; With ammonium chloride; sodium t-butanolate; In tert-butyl alcohol; at 20 - 100 ℃; for 0.5h;

With hydrogenchloride; In 1,3-dioxane; dichloromethane; at 0 - 20 ℃; for 1h;

With sodium hydroxide; t-butyl malonate; citric acid; more than 3 stages;

upstream raw materials:

tert-butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

di-tert-butyl dicarbonate

4-piperidone hydrochloride

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

tert-butyl 4-(2-(4-(3-chloro-4-(pyridin-2-yl-methoxy)phenylamino)-3-cyano-7-(tetrahydrofuran-3-yl-oxy)quinolin-6-yl-amino)-2-oxoethylidene)piperidine-1-carboxylate

C₂₂H₃₀N₂O₆

C₂₁H₂₈N₄O₃S

C₂₁H₂₇ClN₄O₃S

Refernces

• 1、 Wang, Xiao Jian,Xi, Mei Yang,Fu, Ji Hua,Zhang, Fu Rong,Cheng, Gui Fang,Yin, Da Li,You, Qi Dong. "Synthesis, biological evaluation and SAR studies of benzimidazole derivatives as H1-antihistamine agents". scheme or table. p. 707 - 710. Retrieved 2012/07/03.
• 2、 -. "QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS". Page/Page column 12. . Retrieved 2009/05/29.