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tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate structure

CAS No:
171049-41-5
Formula:
C14H20N2O2
Chemical Name:
tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Synonyms:
2(1H)-Isoquinolinecarboxylic acid,7-amino-3,4-dihydro-,1,1-dimethylethyl ester;7-Amino-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline;7-Amino-2-Boc-1,2,3,4-tetrahydroisoquinoline;7-Amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester;tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate;7-Amino-2-(tert-butyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate Basic Attributes

Molecular Weight：

248.32

Exact Mass：

248.32

EC Number：

-0

DSSTox ID：

DTXSID80622143

HScode：

2933499090

Characteristics

PSA：

55.6

XLogP3：

Density：

1.145±0.06 g/cm3(Predicted)

Melting Point：

59-61 °C

Boiling Point：

394.7±42.0 °C(Predicted)

Flash Point：

192.5±27.9 °C

Refractive Index：

1.569

Safety Information

hazard class code：

22-50

safety instructions：

Marks：

Xn,N

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate Use and Manufacturing

A solution of tert-butyl 7-nitro-3, 4-dihydroisoquinoline-2(1H)-carboxylate (33.2) (4.4 g, 15.81 mmol) and Pd/C (500 mg, 4.69 mmol) in MeOH (100 mL) was stirred at room temperature for 3h under HA solution of tert-butyl 7-nitro-3, 4-dihydroisoquinoline-2(lH)-carboxylate (9.4 g, 34 mmol) in ethanol (150 mL) was treated with 10percent palladium on carbon (0.5 g), and the Pd(OH)EXAMPLE 3. Synthesis of N-[2-(4-chloroρhenyl)ethyl]-7-[(methylsulfonyl)amino]-3, 4- dihydroisoquinoline-2(lH)-carbothioamide (Res-10-73) and N-[2-(4-chlorophenyl)ethyl]- 6- [(methylsulfonyl)amino] -3 , 4-dihydroisoquinoline-2(l H)-carbothioamide (Res-12-31).; The title compounds were synthesized according to Scheme 2. Scheme 2. Synthesis ofN-[2-(4-chlorophenyl)ethyl]-7-[(methylsulfonyl)amino]-3, 4- dihydroisoquinoline-2(lH)-carbothioamide (Res-10-73) and N-[2-(4-chlorophenyl)ethyl] - 6-[(methylsulfonyl)amino] -3 , 4-dihydroisoquinoline-2(lH)-carbothioamide (Res-12-31).1, 2, 3, 4-Tetrahydroisoquinoline (1) (1 eq.) was cooled on ice and acetic anhydride (1.5 eq.) was added dropwise. The mixture was stirred for 2 hours and then diluted with EtOAc. The organic phase was washed with NaHCO

Computed Properties

Molecular Weight:248.32
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:248.152477885
Monoisotopic Mass:248.152477885
Topological Polar Surface Area:55.6
Heavy Atom Count:18
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

CAS No.: 171049-41-5

Content: 99.00%

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tert-Butyl 7-Amino-3,4-dihydroisoquinoline-2(1H)-carboxylate 98% Purity Heterocyclic Building Block CAS 171049-41-5 Pharmaceutical Intermediate

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CAS No.: 171049-41-5

Grade: Research Grade

Content: 98%

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Guide of tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate

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