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43207-78-9

Basic Information
CAS No.: 43207-78-9
Name: 7-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Article Data: 27
Molecular Structure:
Molecular Structure of 43207-78-9 (7-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE)
Formula: C10H13NO
Molecular Weight: 163.219
Synonyms: Weberidine;7-Methoxy-1,2,3,4-Tetrahydro-Isoquinoline;
EINECS: -0
Density: 1.044 g/cm3
Melting Point: 190 °C
Boiling Point: 283.615 °C at 760 mmHg
Flash Point: 109.208 °C
PSA: 21.26000
LogP: 1.66970
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Specification

The 1,2,3,4-Tetrahydro-7-methoxyisoquinoline, with the CAS registry number 43207-78-9, has the systematic name and IUPAC name of 7-methoxy-1,2,3,4-tetrahydroisoquinoline. It belongs to the category of Chiral Chemicals. And the molecular formula of the chemical is C10H13NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.26 Å2; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 48.454 cm3; (13)Molar Volume: 156.298 cm3; (14)Polarizability: 19.209×10-24cm3; (15)Surface Tension: 36.048 dyne/cm; (16)Density: 1.044 g/cm3; (17)Flash Point: 109.208 °C; (18)Enthalpy of Vaporization: 52.255 kJ/mol; (19)Boiling Point: 283.615 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

Preparation of 1,2,3,4-Tetrahydro-7-methoxyisoquinoline: This chemical can be prepared by 2-formyl-1,2,3,4-tetrahydro-7-methoxyisoquinoline. The reaction will need reagent 10% and aq. NaOH, and the menstruum ethanol. And the yield is about 16%. 

Uses of 1,2,3,4-Tetrahydro-7-methoxyisoquinoline: It can be used to produce C20H25N3O6S2. This reaction will need reagent imidodisulfuryl chloride and Et3N, and the menstruum acetonitrile and CH2Cl2. The reaction time is 12 hours with temperature of 25°C, and the yield is about 56%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc2c(c1)CNCC2
(2)InChI: InChI=1/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
(3)InChIKey: BPSLFSXCUJYFIR-UHFFFAOYAX