Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate - CAS 177478-49-8

Name: Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013297
Product Name:	Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CAS:	177478-49-8
Synonyms:	methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
Description:	Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate (CAS# 177478-49-8) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)NCCC2
InChI:	InChI=1S/C11H13NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h4-5,7,12H,2-3,6H2,1H3
InChI Key:	PPSPOJUGGLXCIV-UHFFFAOYSA-N
Boiling Point:	349.4 °C at 760 mmHg
Density:	1.123 g/cm³
MDL:	MFCD08692534
LogP:	1.96930

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Quinoline/Isoquinoline

[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[91092-92-1]C11H9NO4
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[36034-54-5]C10H9NO
4-Methoxyisoquinoline
[77156-78-6]C13H13NO4
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[1535306-28-5]C9H5FINO
6-Fluoro-8-iodoquinolin-2(1H)-one

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
WO-2020185738-A1	Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders	20190311
CN-109529907-B	Nitrogen-doped carbon material supported cobalt catalyst, preparation method thereof and application thereof in catalytic oxidation of N-heterocyclic compound	20181230
EP-3630770-A1	Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors	20170526

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2