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1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid

1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid - CAS 70684-84-3

Catalog:	BB034214
Product Name:	1-Boc-1,2,3,6-tetrahydropyridine-4-carboxylic Acid
CAS:	70684-84-3
Synonyms:	1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid

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Catalog	Size	Price	Stock	Quantity
BB034214	5 g	$599	In stock

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Technical Data

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Patents

Computed Properties

IUPAC Name:	1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
Molecular Weight:	227.26
Molecular Formula:	C11H17NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=CC1)C(=O)O
InChI:	InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h4H,5-7H2,1-3H3,(H,13,14)
InChI Key:	XMOGRJIQFWJZDG-UHFFFAOYSA-N
MDL:	MFCD02682417
LogP:	1.57610

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111217693-A	method for preparing a, Î² -unsaturated carboxylic acid by reacting alkenyl boron compound catalyzed by cuprous halide with carbon dioxide	20200219
CN-109476664-A	New compound as autotaxin inhibitors and the pharmaceutical composition comprising it	20170517
EP-3442973-A1	Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same	20170517
JP-2019518799-A	Novel compounds as autotaxin inhibitors and pharmaceutical compositions containing them	20170517
US-2020172542-A1	Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same	20170517

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.11575802
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.11575802
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1