6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
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6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
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CAS No:
52651-15-7
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Formula:
C10H9ClO2
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Chemical Name:
6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
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Synonyms:
6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID;6-Chloroindan-1-carboxylic acid;SCHEMBL10467284;CTK8B6135;DTXSID00488107;TQP1435;BCP21979;ANW-52833;AKOS006305931;MP-1287
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CAS No:
6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID Basic Attributes
196.64
196.029114
DTXSID00488107
2916399090
Characteristics
37.3
2.4
1.4±0.1 g/cm3
126-128 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
161.8±27.9 °C
1.609
6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID Use and Manufacturing
Step 1 : To a solution of (3-methoxy-5-methylpyrazin-2-yl)methanamine hydrochloride (200 mg, 1.05 mmol) and 6-chloro-2, 3-dihydro-1H-indene-1 -carboxylic acid (206 mg, 1.05 mmol, 1 eq) in DCM (5 mL) was added HATU (479 mg, 1.26 mmol, 1.20 eq) and DIPEA (407 mg, 3.15 mmol, 550 mu, 3 eq). The mixture was stirred at 18C for 16 hours. The mixture washed with H2O (20 mL) and extracted with DCM (20 mL chi 3). The combined organic was dried over Na2S04 and concentrated under vacuum. 6-chloro-N-((3-methoxy-5-methylpyrazin-2-yl)methyl)-2, 3-dihydro-1H-indene-1-carboxamide (3 2 mg, 864 mumomicronIota, 82% yield) was obtained.Step 1: To a solution of (3-methoxy-5-methylpyrazin-2-yl)methanamine hydrochloride (200 mg, 1.05 mmol) and To a solution of (3-methoxy-5-methylpyrazin-2-yl)methanamine hydrochloride (200 mg, 1.05 mmol) and 6-chloro-2, 3-dihydro-1 H-indene-1-carboxylic acid (206 mg, 1.05 mmol, 1 eq) in DCM (5 mL) was added HATU (479 mg, 1.26 mmol, 1.20 eg) and DIPEA (407 mg, 3.15 mmol, 550 mu, 3 eg). The mixture was stirred at 18C for 16 hours. The mixture washed with H20 (20 mL) and extracted with DCM (20 mL * 3). The combined organic was dried over Na2S04 and concentrated under vacuum. 6-chloro-A/-((3-methoxy-5-methylpyrazin-2- yl)methyl)-2, 3-dihydro-1 H-indene-1 -carboxamide (312 mg, 864 pmol, 82% yield) was obtained.
Computed Properties
Molecular Weight:196.63
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:196.0291072
Monoisotopic Mass:196.0291072
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-CHLORO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID
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