tert-Butyl methyl malonate

Details:

1. Introduction of tert-Butyl methyl malonate

tert-Butyl methyl malonate (CAS NO.42726-73-8) is a chemical whose appearance is colorless to slight yellow liquid. You can use it as a intermediate. Our production capacity of this chemical is 5 metric ton per year. We can supply its 95%min(GC). The FOB price of this chemical is 0-100000 USD/kilogram. We'd like to receive the payment via L/C or T/T.

Other specification:

Appearance:Colorless to slight yellow liquid
Assay: ≥95%(GC)
Formula:     C₈H₁₄O₄
M.W.:        174.20
Feature:     Colorless to slight yellow transparent liquid, B.P.80℃(11mmHg), F.P.79℃,d 1.03,nD201.414-1.417.

2. Basic information of tert-Butyl methyl malonate

1) Properties:

(1)XLogP3-AA: 1.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 5; (5)Exact Mass: 174.089209; (6)MonoIsotopic Mass: 174.089209; (7)Topological Polar Surface Area: 52.6; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 178; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Anion Count: 1; (19)Feature 3D Hydrophobe Count: 1; (20)Effective Rotor Count: 5; (21)Conformer Sampling RMSD: 0.6.

2) Descriptors of Structure

IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate
InChI: InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
InChIKey: XPSYZCWYRWHVCC-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)OC(=O)CC(=O)OC