Ethyl 2-oxocyclohexanecarboxylate - CAS 1655-07-8

Name: Ethyl 2-oxocyclohexanecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012192
Product Name:	Ethyl 2-oxocyclohexanecarboxylate
CAS:	1655-07-8
Synonyms:	ethyl 2-oxocyclohexane-1-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 2-oxocyclohexane-1-carboxylate
Description:	Ethyl 2-oxocyclohexanecarboxylate (CAS# 1655-07-8) is used in biocatalysis.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	CCOC(=O)C1CCCCC1=O
InChI:	InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChI Key:	FGSGHBPKHFDJOP-UHFFFAOYSA-N
Boiling Point:	106 °C / 11 mmHg (lit.)
Purity:	95 %
Density:	1.064 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00001631
LogP:	1.30880

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112500426-A	Pyrimidine boric acid derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20201203
CN-111763170-A	Preparation method of flumatinib intermediate	20200710
WO-2021202688-A1	Process for preparing a cot inhibitor compound	20200402
WO-2021190615-A1	Compounds as casein kinase inhibitors	20200327
WO-2021190616-A1	Methods for inhibiting casein kinases	20200327

PMID	Publication Date	Title	Journal
17943204	20071107	Effects of caffeine on stereoselectivities of high cell density biotransformations of cyclic beta-keto esters with Saccharomyces cerevisiae	Organic & biomolecular chemistry
17873841	20070521	Coordination compounds based on 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid	Molecules (Basel, Switzerland)
17432916	20070511	A beta-keto ester as a novel, efficient, and versatile ligand for copper(I)-catalyzed C-N, C-O, and C-S coupling reactions	The Journal of organic chemistry
11746789	20010101	Enantioselective Michael addition catalyzed by cinchona alkaloids	Chirality

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4