2,2,6,6-Tetramethylpimelic Acid

Base Information

• Chemical Name: 2,2,6,6-Tetramethylpimelic Acid
• CAS No.: 2941-45-9
• Molecular Formula: C₁₁H₂₀O₄
• Molecular Weight: 216.277
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID30369773
• Nikkaji Number: J1.972.430A
• Wikidata: Q82157085
• Mol file: 2941-45-9.mol

Synonyms:2,2,6,6-Tetramethylpimelic Acid;2941-45-9;2,2,6,6-tetramethylheptanedioic Acid;SCHEMBL2784372;DTXSID30369773;CKUJONFLPBQEKM-UHFFFAOYSA-N;CAA94145;MFCD00800574;AKOS015892978;RS-1035;Heptanedioic acid, 2,2,6,6-tetramethyl-;CS-0206328;FT-0609129;T1818;T72242

Chemical Property of 2,2,6,6-Tetramethylpimelic Acid

Chemical Property:

• Appearance/Colour: white to almost white coarse crystals or
• Vapor Pressure: 2.51E-06mmHg at 25°C
• Melting Point: 169-171 °C
• Refractive Index: 1.4386 (estimate)
• Boiling Point: 365.1°Cat760mmHg
• PKA: 4.51±0.45(Predicted)
• Flash Point: 188.8°C
• PSA: 74.60000
• Density: g/cm³
• LogP: 2.37830
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

2,2,6,6-Tetramethylpimelic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCCC(C)(C)C(=O)O)C(=O)O

Technology Process of 2,2,6,6-Tetramethylpimelic Acid

There total 7 articles about 2,2,6,6-Tetramethylpimelic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,3-dibromo-propane (109-64-8) + isobutyric Acid (79-31-2) → 2,2,6,6-tetramethylheptanedioic acid (2941-45-9)

Guidance literature:

Multistep reaction; (i) LDA, (ii) /BRN= 635662/;

DOI:10.1021/ja00986a056

Reference yield:

2,2,6,6-tetramethyl-heptanedioic acid diamide (2941-46-0) → 2,2,6,6-tetramethylheptanedioic acid (2941-45-9)

Guidance literature:

With sulfuric acid; cis-nitrous acid;

Reference yield:

2,6-dimethyl-2,6-dicyanoheptane (2941-36-8) → 2,2,6,6-tetramethylheptanedioic acid (2941-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄

With sulfuric acid;

DOI:10.1139/v65-344

upstream raw materials:

2,2,6,6-tetramethyl-heptanedioic acid diamide

2,2,6,6-tetramethyl-1,7-diphenyl-heptane-1,7-dione

1,3-dibromo-propane

isobutyric Acid

Downstream raw materials:

7-(benzyloxy)-2,2,6,6-tetramethyl-7-oxoheptanoic acid

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