6-Methoxy-1,2,3,4-tetrahydro-isoquinoline

• CAS: 42923-77-3
• Catalog Number: ACM42923773
• Category: Other Products
• Molecular Weight: 163.2188
• Molecular Formula: C10H13NO
• Synonyms: 1,2,3,4-tetrahydro-6-methoxy-isoquinolin;ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-;CHEMBRDG-BB 4101917;6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;AKOS BC-2988;m90104;6-methoxy-1,2,3,4-tetrahydroisoquinoline(SALTDATA: FREE);1,2,3,4-Tetrahydro-6-methoxyisoquinoline
• Hazard Statements: Xn
• MDL Number: MFCD01717129
• Size: 1g,5g,25g

Custom Q&A

What is the molecular formula of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The molecular formula is C10H13NO.

When was the PubChem CID for 6-Methoxy-1,2,3,4-tetrahydroisoquinoline created?

The CID was created on 2005-07-29.

What is the molecular weight of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The molecular weight is 163.22 g/mol.

How is the Canonical SMILES of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline represented?

It is represented as COC1=CC2=C(CNCC2)C=C1.

What is the InChIKey of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is YYTAYINRPUJPNH-UHFFFAOYSA-N.

What is the European Community (EC) Number for 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The EC Number is 824-738-5.

How many hydrogen bond donor counts does 6-Methoxy-1,2,3,4-tetrahydroisoquinoline have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value for 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The XLogP3-AA value is 1.3.

How many rotatable bond counts does 6-Methoxy-1,2,3,4-tetrahydroisoquinoline have?

It has 1 rotatable bond count.

What is the topological polar surface area of 6-Methoxy-1,2,3,4-tetrahydroisoquinoline?

The topological polar surface area is 21.3Ų.

Synthetic Use

Downstream Synthesis Route 1

• 42923-77-3

• 52986-70-6

Reference: [1] Advanced Synthesis and Catalysis, 2012, vol. 354, # 16, p. 3045 - 3053
[2] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1993, vol. 32, # 12, p. 1209 - 1213
[3] Organometallics, 2018, vol. 37, # 4, p. 584 - 591
[4] Patent: US4812573, 1989, A,
[5] Journal of the American Chemical Society, 1947, vol. 69, p. 1939,1941

Downstream Synthesis Route 2

• 42923-77-3

• 52986-70-6
• 14446-29-8

Reference: [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 14, p. 2358 - 2363

Downstream Synthesis Route 3

• 42923-77-3

• 14446-24-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 12, p. 6364 - 6370

Downstream Synthesis Route 4

• 42923-77-3

• 100131-77-9

Reference: [1]Chemical and Pharmaceutical Bulletin,2012,vol. 60,p. 945 - 948
[2]Journal of the Chemical Society,1958,p. 1967,1973

* For details of the synthesis route, please refer to the original source to ensure accuracy.