Cas no 54202-05-0 (Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate)

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate is a bicyclic organic compound featuring both cyano and ester functional groups, which contribute to its utility in synthetic chemistry. The rigid bicyclo[2.2.2]octane scaffold enhances structural stability, making it valuable for applications requiring constrained geometries. The cyano group offers reactivity for further derivatization, while the methyl ester provides a handle for hydrolysis or transesterification. This compound is particularly useful in medicinal chemistry and materials science, where its unique framework can serve as a building block for complex molecules. Its well-defined structure and functional group compatibility make it a versatile intermediate in organic synthesis.

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate structure

54202-05-0 structure

Product Name:Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

CAS No:54202-05-0

MF:C₁₁H₁₅NO₂

MW:193.242303133011

MDL:MFCD23701712

CID:1033063

PubChem ID:59462572

Update Time:2025-05-22

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

- Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate
- methyl 1-cyanobicyclo[2.2.2]octane-4-carboxylate
- UTSHTDGCQQHAPB-UHFFFAOYSA-N
- FCH2317017
- AK120033
- AX8245449
- Bicyclo[2.2.2]octane-1-carboxylic acid, 4-cyano-, methyl ester
- MFCD23701712
- Methyl4-cyanobicyclo[2.2.2]octane-1-carboxylate
- DTXSID70732124
- 54202-05-0
- A1-01473
- Z1618039112
- SY103311
- AKOS016010836
- CS-0042924
- DS-6147
- EN300-7378963
- DB-370898
- AMY19202
- A917975
- SCHEMBL4089233
- MDL： MFCD23701712
- Inchi： 1S/C11H15NO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-7H2,1H3
- InChI Key： UTSHTDGCQQHAPB-UHFFFAOYSA-N
- SMILES： O(C)C(C12CCC(C#N)(CC1)CC2)=O

Computed Properties

Exact Mass: 193.110278721g/mol
Monoisotopic Mass: 193.110278721g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 14
Rotatable Bond Count: 2
Complexity: 288
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 50.1
XLogP3: 1.1

Experimental Properties

Boiling Point: 292.6±40.0°C at 760 mmHg

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate Security Information

Signal Word：Warning
Hazard Statement： H302
Warning Statement： P280-P305+P351+P338
Storage Condition：Sealed in dry,Room Temperature

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-HE829-250mg	Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	95+%	250mg	2344CNY	2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-HE829-100mg	Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	95+%	100mg	1066CNY	2021-05-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M38480-250mg	Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0		250mg	￥1256.0	2021-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	M38480-100mg	Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0		100mg	￥786.0	2021-09-08
eNovation Chemicals LLC	Y1007184-1G	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	97%	1g	$595	2024-07-21
eNovation Chemicals LLC	Y1007184-5G	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	97%	5g	$1785	2024-07-21
eNovation Chemicals LLC	Y1007184-10G	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	97%	10g	$2995	2024-07-21
eNovation Chemicals LLC	Y1007184-25G	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	97%	25g	$5210	2023-09-03
Chemenu	CM201446-5g	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	95%	5g	$***	2023-05-30
Chemenu	CM201446-10g	methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate	54202-05-0	95%	10g	$***	2023-05-30

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate Suppliers

Amadis Chemical Company Limited

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(CAS:54202-05-0)Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

Order Number:A917975

Stock Status:in Stock

Quantity:5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 13:04

Price ($):952.0

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