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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
BB034214	5 g	$599	In stock

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Technical Data

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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

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

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Related Functional Groups

Carbonyl Compounds

[1316755-16-4]
EMA401
[1020724-52-0]
Ethyl ([(5-methyl-3-nitro-1H-pyrazol-1-YL)methyl]sulfinyl)acetate
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1339793-66-6]
Ethyl (1-ethyl-1H-pyrazol-5-yl)acetate
[5429-62-9]
Ethyl (1H-benzimidazol-2-ylthio)acetate
[79549-89-6]
Ethyl (1R,8S,9r)-bicyclo[6.1.0]non-4-ene-9-carboxylate

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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

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