1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid

• CAS: 41034-52-0
• Catalog Number: ACM41034520
• Category: Other Products
• Molecular Weight: 177.2024
• Molecular Formula: C10H11NO2
• Synonyms: TIMTEC-BB SBB000197;1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACID;1,2,3,4-tetrahydroisoquinoline carboxylic acid;1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-;1,2,3,4-Tetrahydro-1-isoquinolinecarboxylic acid;DL-1,2,3,4-Tetrahydroisoquinoline-1-carboxylic acid;BIM-0037743.P001;MLS000070678
• Melting Point: 268-270°C
• MDL Number: MFCD01318704
• Size: 250mg,500mg,1g,5g,25g

Custom Q&A

What is the molecular formula of 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid?

The molecular formula is C10H11NO2.

When was 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid created in PubChem?

It was created on June 4, 2005.

What is the InChIKey of 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid?

The InChIKey is OXFGRWIKQDSSLY-UHFFFAOYSA-N.

What is the XLogP3-AA value of 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid?

The XLogP3-AA value is -1.2.

How many hydrogen bond donor counts does 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid?

The topological polar surface area is 49.3 Ų.

How many rotatable bond counts does 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid have?

It has 1 rotatable bond count.

Is 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid considered a canonicalized compound?

Yes, it is considered canonicalized.

What is the heavy atom count of 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid?

The heavy atom count is 13.

How many undefined atom stereocenter counts does 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid have?

It has 1 undefined atom stereocenter count.

Synthetic Use

Upstream Synthesis Route 1

• 486-73-7

• 41034-52-0

Reference: [1]Tetrahedron Asymmetry,2007,vol. 18,p. 1428 - 1433

Downstream Synthesis Route 1

• 41034-52-0

• 151004-93-2

Reference: [1] Tetrahedron Asymmetry, 2007, vol. 18, # 12, p. 1428 - 1433
[2] Patent: US2016/272636, 2016, A1,

Downstream Synthesis Route 2

• 41034-52-0

• 151004-96-5

Reference: [1] Patent: US2016/272636, 2016, A1,

Downstream Synthesis Route 3

• 41034-52-0
• 24424-99-5

• 35264-05-2

Reference: [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 3, p. 314 - 319

Downstream Synthesis Route 4

• 1121-60-4
• 41034-52-0

• 104711-28-6

Reference: [1]Aly, Moustafa F.; Ardill, Harriet; Grigg, Ronald; Leong-Ling, Stephanie; Rajviroongit, Shuleewan; Surendrakumar, Sivagnanasundram
[Tetrahedron Letters, 1987, vol. 28, # 48, p. 6077 - 6080]

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